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A1JFQ

Summary
Name:3-[4-(dimethylsulfamoylmethyl)phenyl]-4-methyl-5-phenyl-1~{H}-pyrrole-2-carboxylic acid
Formula:C21 H22 N2 O4 S
Formal charge:0
Formula weight:398.475 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.73-[4-(dimethylsulfamoylmethyl)phenyl]-4-methyl-5-phenyl-1~{H}-pyrrole-2-carboxylic acid

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.06InChI=1S/C21H22N2O4S/c1-14-18(16-11-9-15(10-12-16)13-28(26,27)23(2)3)20(21(24)25)22-19(14)17-7-5-4-6-8-17/h4-12,22H,13H2,1-3H3,(H,24,25)
InChIKeyInChI1.06FQLIJUSAYSLJEX-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385CN(C)[S](=O)(=O)Cc1ccc(cc1)c2c(C)c([nH]c2C(O)=O)c3ccccc3
SMILESCACTVS3.385CN(C)[S](=O)(=O)Cc1ccc(cc1)c2c(C)c([nH]c2C(O)=O)c3ccccc3
SMILES_CANONICALOpenEye OEToolkits2.0.7Cc1c(c([nH]c1c2ccccc2)C(=O)O)c3ccc(cc3)CS(=O)(=O)N(C)C
SMILESOpenEye OEToolkits2.0.7Cc1c(c([nH]c1c2ccccc2)C(=O)O)c3ccc(cc3)CS(=O)(=O)N(C)C

254917

PDB entries from 2026-06-10

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