
 OpenBabel04291915413D

 56 58  0  0  1  0  0  0  0  0999 V2000
    8.1741   22.4227    2.6178 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3810   22.1990    2.6296 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2883   23.2588    2.5684 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.8226   24.5732    2.4938 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5022   24.8181    2.4809 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0543   26.0821    2.4092 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7340   26.3269    2.3963 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2861   27.5909    2.3246 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6951   25.5924    2.4349 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1522   25.3223    2.4492 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6614   23.0042    2.5818 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2523   21.3364    2.6764 S   0  0  0  0  0  0  0  0  0  0  0  0
    9.8626   20.8398    2.7067 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0089   19.8425    2.7643 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4905   18.4834    2.8414 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6180   17.4642    2.9002 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0659   16.2002    2.9719 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1934   15.1810    3.0308 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   15.4269    3.0178 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4045   16.7324    2.9438 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8845   16.7322    2.9450 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.5271   17.3800    2.1720 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4121   17.1910    4.2031 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3779   15.3206    2.6977 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8277   15.0688    1.4130 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6413   13.9170    3.1025 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5095   12.5949    3.1788 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   10.8109   18.2386    2.8543 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4870   23.9687    2.5261 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.8974   23.7072    2.5398 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6571   25.0215    2.4643 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1516   24.7445    2.4789 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8317   24.0348    2.5261 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7248   26.8653    2.3640 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0635   25.5436    2.4415 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5885   28.3501    2.2818 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.3187   24.2670    2.5092 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.5956   25.8021    3.2965 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.5942   25.7026    1.5520 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9943   20.0307    2.7543 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6034   17.6523    2.8903 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0806   16.0121    2.9818 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7604   17.1863    2.0425 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7618   17.2858    3.7870 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4421   17.1909    4.2039 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1992   14.6495    2.8386 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5718   15.1804    3.3872 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5161   15.1810    0.7389 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7350   18.6972    2.8273 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.1553   23.0973    1.6993 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.1567   23.1968    3.4438 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.3992   25.6314    3.3048 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.3978   25.5319    1.5603 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.4109   24.2341    3.3828 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.6864   25.6697    2.4256 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.4095   24.1346    1.6384 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2 13  1  0  0  0  0
  3 11  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  9  1  0  0  0  0
  5  6  1  0  0  0  0
  5 33  1  0  0  0  0
  6  7  2  0  0  0  0
  6 34  1  0  0  0  0
  7  8  1  0  0  0  0
  7 35  1  0  0  0  0
  8  9  2  0  0  0  0
  8 36  1  0  0  0  0
  9 10  1  0  0  0  0
 10 37  1  0  0  0  0
 10 38  1  0  0  0  0
 10 39  1  0  0  0  0
 11 29  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 14 40  1  0  0  0  0
 15 16  2  0  0  0  0
 15 28  1  0  0  0  0
 16 17  1  0  0  0  0
 16 41  1  0  0  0  0
 17 18  2  0  0  0  0
 17 42  1  0  0  0  0
 18 26  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 43  1  0  0  0  0
 20 44  1  0  0  0  0
 21 23  1  0  0  0  0
 21 22  1  6  0  0  0
 21 24  1  0  0  0  0
 21 20  1  0  0  0  0
 23 45  1  0  0  0  0
 24 25  1  0  0  0  0
 24 46  1  0  0  0  0
 24 47  1  0  0  0  0
 25 48  1  0  0  0  0
 26 27  1  0  0  0  0
 26 28  2  0  0  0  0
 28 49  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 30 50  1  0  0  0  0
 30 51  1  0  0  0  0
 31 32  1  0  0  0  0
 31 52  1  0  0  0  0
 31 53  1  0  0  0  0
 32 54  1  0  0  0  0
 32 55  1  0  0  0  0
 32 56  1  0  0  0  0
M  END
>  <SKU>
A13307

>  <Product Name>
Ponesimod

>  <CAS>
854107-55-4

>  <M.Wt>
460.9736

>  <Formula>
C23H25ClN2O4S

>  <Synonyms>
ACT-128800

>  <URL>
https://www.adooq.com/ponesimod.html

$$$$
