
 CHEMBL464270

 53 56  0  0  0  0  0  0  0  0999 V2000
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   -6.8222   11.3533   -2.4228 C   0  0  0  0  0
   -6.8770   11.1551   -0.7391 S   0  0  0  0  0
   -8.1929   12.0075   -3.2307 Cl  0  0  0  0  0
   -5.2126   10.9802   -4.6335 Cl  0  0  0  0  0
   -8.0713    1.6083    3.7460 H   0  0  0  0  0
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   -4.3694    7.8889    1.0205 H   0  0  0  0  0
   -3.7325   10.1156   -2.1672 H   0  0  0  0  0
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M  END

>  <Chemical Name>
CHEMBL464270

>  <PubChem CID>
44570282

>  <Formula>
C22H18Cl2N2O6S3

>  <Molecular Weight>
573.474000

>  <IUPAC Name>
N-(4,5-dichlorothiophen-2-yl)sulfonyl-2-[[3-(2,5-dimethoxyphenyl)sulfanyl-1H-indol-4-yl]oxy]acetamide

>  <XlogP>
6.1

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
8

>  <Canonical SMILES>
COC1=CC(=C(C=C1)OC)SC2=CNC3=C2C(=CC=C3)OCC(=O)NS(=O)(=O)C4=CC(=C(S4)Cl)Cl

>  <Isomeric SMILES>
COC1=CC(=C(C=C1)OC)SC2=CNC3=C2C(=CC=C3)OCC(=O)NS(=O)(=O)C4=CC(=C(S4)Cl)Cl

>  <InChI Std. ID>
InChI=1S/C22H18Cl2N2O6S3/c1-30-12-6-7-15(31-2)17(8-12)33-18-10-25-14-4-3-5-16(21(14)18)32-11-19(27)26-35(28,29)20-9-13(23)22(24)34-20/h3-10,25H,11H2,1-2H3,(H,26,27)

>  <InChI Key>
ANMDXPNYNVQXEZ-UHFFFAOYSA-N

