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A1C1G

Summary
Name:4-[benzyl(methyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid
Formula:C13 H14 N2 O4 S
Formal charge:0
Formula weight:294.326 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs14.524-[benzyl(methyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid
OpenEye OEToolkits3.1.0.04-[methyl-(phenylmethyl)sulfamoyl]-1~{H}-pyrrole-2-carboxylic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs14.52OC(=O)c1cc(c[NH]1)S(=O)(=O)N(C)Cc1ccccc1
InChIInChI1.06InChI=1S/C13H14N2O4S/c1-15(9-10-5-3-2-4-6-10)20(18,19)11-7-12(13(16)17)14-8-11/h2-8,14H,9H2,1H3,(H,16,17)
InChIKeyInChI1.06QWGVMANIYZNZAL-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385CN(Cc1ccccc1)[S](=O)(=O)c2c[nH]c(c2)C(O)=O
SMILESCACTVS3.385CN(Cc1ccccc1)[S](=O)(=O)c2c[nH]c(c2)C(O)=O
SMILES_CANONICALOpenEye OEToolkits3.1.0.0CN(Cc1ccccc1)S(=O)(=O)c2cc([nH]c2)C(=O)O
SMILESOpenEye OEToolkits3.1.0.0CN(Cc1ccccc1)S(=O)(=O)c2cc([nH]c2)C(=O)O

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PDB entries from 2026-08-26

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