
 CHEMBL43788

 45 47  0  0  0  0  0  0  0  0999 V2000
   11.9838   -7.3589   -6.7575 C   0  0  0  0  0
   10.8235   -7.5348   -5.8551 C   0  0  0  0  0
    9.9210   -6.5504   -5.7729 N   0  0  0  0  0
    8.9708   -6.9932   -4.8816 O   0  0  0  0  0
    9.3399   -8.1992   -4.3556 C   0  0  0  0  0
   10.4793   -8.6210   -5.0074 C   0  0  0  0  0
   11.3371  -10.0762   -4.8753 Cl  0  0  0  0  0
    8.5731   -8.7797   -3.3019 N   0  0  0  0  0
    9.3846   -9.3019   -1.9258 S   0  0  0  0  0
    8.5909   -8.9161   -0.7802 O   0  0  0  0  0
    9.7739  -10.6826   -2.1201 O   0  0  0  0  0
   10.8908   -8.4656   -1.6562 C   0  0  0  0  0
   11.0650   -7.0897   -1.6490 C   0  0  0  0  0
   12.7164   -6.6885   -1.3685 S   0  0  0  0  0
   13.1761   -8.3225   -1.2173 C   0  0  0  0  0
   12.1073   -9.1709   -1.3785 C   0  0  0  0  0
   10.0674   -6.0469   -1.8813 C   0  0  0  0  0
    8.9002   -6.3150   -2.1631 O   0  0  0  0  0
   10.5171   -4.7503   -1.7304 N   0  0  0  0  0
    9.7712   -3.5895   -2.0099 C   0  0  0  0  0
   10.0090   -2.4538   -1.2228 C   0  0  0  0  0
    9.2730   -1.2887   -1.4432 C   0  0  0  0  0
    8.2848   -1.2597   -2.4308 C   0  0  0  0  0
    8.0901   -2.3707   -3.2522 C   0  0  0  0  0
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   10.9681   -2.5742   -0.2454 O   0  0  0  0  0
   10.6002   -1.9719    0.9941 C   0  0  0  0  0
   11.6432   -7.1650   -7.7803 H   0  0  0  0  0
   12.6294   -8.2407   -6.7779 H   0  0  0  0  0
   12.5892   -6.5058   -6.4326 H   0  0  0  0  0
    7.8476   -8.1198   -3.0014 H   0  0  0  0  0
   14.2054   -8.5875   -1.0149 H   0  0  0  0  0
   12.1907  -10.2512   -1.3142 H   0  0  0  0  0
   11.3385   -4.6084   -1.1503 H   0  0  0  0  0
    9.4396   -0.3987   -0.8463 H   0  0  0  0  0
    7.3786   -2.3548   -4.0725 H   0  0  0  0  0
    8.6681   -4.3852   -3.6979 H   0  0  0  0  0
    5.7299   -1.0681   -2.5487 H   0  0  0  0  0
    6.2508   -0.3231   -4.1076 H   0  0  0  0  0
    5.7048    0.6859   -2.7598 H   0  0  0  0  0
   10.8324   -0.9029    0.9814 H   0  0  0  0  0
   11.1987   -2.4396    1.7813 H   0  0  0  0  0
    9.5444   -2.1397    1.2371 H   0  0  0  0  0
  1  2  1  0  0  0
  1 30  1  0  0  0
  1 31  1  0  0  0
  1 32  1  0  0  0
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  3  4  1  0  0  0
  4  5  1  0  0  0
  5  6  2  0  0  0
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M  END

>  <Chemical Name>
CHEMBL43788

>  <PubChem CID>
10575845

>  <Formula>
C17H16ClN3O6S2

>  <Molecular Weight>
457.900000

>  <IUPAC Name>
3-[(4-chloro-3-methyl-1,2-oxazol-5-yl)sulfamoyl]-N-(2,4-dimethoxyphenyl)thiophene-2-carboxamide

>  <XlogP>
3.0

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
9

>  <Canonical SMILES>
CC1=NOC(=C1Cl)NS(=O)(=O)C2=C(SC=C2)C(=O)NC3=C(C=C(C=C3)OC)OC

>  <Isomeric SMILES>
CC1=NOC(=C1Cl)NS(=O)(=O)C2=C(SC=C2)C(=O)NC3=C(C=C(C=C3)OC)OC

>  <InChI Std. ID>
InChI=1S/C17H16ClN3O6S2/c1-9-14(18)17(27-20-9)21-29(23,24)13-6-7-28-15(13)16(22)19-11-5-4-10(25-2)8-12(11)26-3/h4-8,21H,1-3H3,(H,19,22)

>  <InChI Key>
AWBISQYKDUIJOK-UHFFFAOYSA-N

