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4A8

Summary
Name:N-(1,3-dimethyl-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)-4-methoxybenzenesulfonamide
Formula:C16 H17 N3 O4 S
Formal charge:0
Formula weight:347.389 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.01N-(1,3-dimethyl-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)-4-methoxybenzenesulfonamide
OpenEye OEToolkits1.9.2N-(1,3-dimethyl-2-oxidanylidene-benzimidazol-5-yl)-4-methoxy-benzenesulfonamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=S(=O)(c1ccc(OC)cc1)Nc2ccc3c(c2)N(C(=O)N3C)C
InChIInChI1.03InChI=1S/C16H17N3O4S/c1-18-14-9-4-11(10-15(14)19(2)16(18)20)17-24(21,22)13-7-5-12(23-3)6-8-13/h4-10,17H,1-3H3
InChIKeyInChI1.03CXVPOMVKVCGHLI-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385COc1ccc(cc1)[S](=O)(=O)Nc2ccc3N(C)C(=O)N(C)c3c2
SMILESCACTVS3.385COc1ccc(cc1)[S](=O)(=O)Nc2ccc3N(C)C(=O)N(C)c3c2
SMILES_CANONICALOpenEye OEToolkits1.9.2CN1c2ccc(cc2N(C1=O)C)NS(=O)(=O)c3ccc(cc3)OC
SMILESOpenEye OEToolkits1.9.2CN1c2ccc(cc2N(C1=O)C)NS(=O)(=O)c3ccc(cc3)OC

225946

PDB entries from 2024-10-09

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