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VJ7

Summary
Name:3-(3-methylindol-1-yl)-~{N}-(4-phenoxyphenyl)sulfonyl-propanamide
Formula:C24 H22 N2 O4 S
Formal charge:0
Formula weight:434.507 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.73-(3-methylindol-1-yl)-~{N}-(4-phenoxyphenyl)sulfonyl-propanamide

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.06InChI=1S/C24H22N2O4S/c1-18-17-26(23-10-6-5-9-22(18)23)16-15-24(27)25-31(28,29)21-13-11-20(12-14-21)30-19-7-3-2-4-8-19/h2-14,17H,15-16H2,1H3,(H,25,27)
InChIKeyInChI1.06ZPEFTTKCRHGFDO-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385Cc1cn(CCC(=O)N[S](=O)(=O)c2ccc(Oc3ccccc3)cc2)c4ccccc14
SMILESCACTVS3.385Cc1cn(CCC(=O)N[S](=O)(=O)c2ccc(Oc3ccccc3)cc2)c4ccccc14
SMILES_CANONICALOpenEye OEToolkits2.0.7Cc1cn(c2c1cccc2)CCC(=O)NS(=O)(=O)c3ccc(cc3)Oc4ccccc4
SMILESOpenEye OEToolkits2.0.7Cc1cn(c2c1cccc2)CCC(=O)NS(=O)(=O)c3ccc(cc3)Oc4ccccc4

227111

PDB entries from 2024-11-06

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