
 OpenBabel04291915473D

 31 33  0  0  0  0  0  0  0  0999 V2000
    5.0113    1.1177   -6.9729 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3368    0.9313   -5.8196 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0082    0.7469   -4.6714 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3368    0.5614   -3.5232 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0082    0.3769   -2.3750 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4047    0.3781   -2.3748 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1030    0.5710   -3.5687 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4017    0.5721   -3.5685 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.0511    0.7515   -4.6789 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3291    0.5532   -3.4441 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9862    0.5521   -3.4443 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3147    0.3677   -2.2960 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9718    0.3666   -2.2962 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1008    0.6044   -3.7860 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.3003    0.1821   -1.1479 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0006    0.3699   -2.2957 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3940    0.7527   -4.6787 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2790    0.7974   -4.9778 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.3368    0.1914   -1.2269 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9939    0.9302   -5.8198 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9483    1.1185   -6.9728 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0402    0.7478   -4.6712 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3048    0.5605   -3.5234 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8970    0.2429   -1.5330 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4702    0.6930   -4.3269 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8307    0.2268   -1.4135 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4756    0.0834   -0.5355 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9502    0.3068   -1.8966 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.4253    0.7475   -4.6412 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2119    0.0283   -0.2155 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1691    1.0282   -6.4324 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 21  1  0  0  0  0
  2  3  2  0  0  0  0
  2 20  1  0  0  0  0
  3  4  1  0  0  0  0
  3 22  1  0  0  0  0
  4  5  2  0  0  0  0
  4 23  1  0  0  0  0
  5 19  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6 24  1  0  0  0  0
  7  8  2  0  0  0  0
  7 18  1  0  0  0  0
  8  9  1  0  0  0  0
  9 17  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 16  1  0  0  0  0
 11 12  1  0  0  0  0
 11 25  1  0  0  0  0
 12 13  2  0  0  0  0
 12 26  1  0  0  0  0
 13 15  1  0  0  0  0
 13 14  1  0  0  0  0
 15 16  2  0  0  0  0
 15 27  1  0  0  0  0
 16 28  1  0  0  0  0
 17 18  1  0  0  0  0
 17 29  1  0  0  0  0
 19 20  2  0  0  0  0
 19 30  1  0  0  0  0
 20 31  1  0  0  0  0
M  END
>  <SKU>
A15988

>  <Product Name>
SKI-II

>  <CAS>
312636-16-1

>  <M.Wt>
302.77864

>  <Formula>
C15H11ClN2OS

>  <Synonyms>
SKI II, Sphingosine kinase inhibitor II

>  <URL>
https://www.adooq.com/ski-ii.html

$$$$
