3,4-dimethyl-5-[[(2-pyrrol-1-ylphenyl)carbonylamino]sulfamoyl]benzoic acid

Systemtic Name: 3,4-dimethyl-5-[[(2-pyrrol-1-ylphenyl)carbonylamino]sulfamoyl]benzoic acid Openeye Name: 3,4-dimethyl-5-[[(2-pyrrol-1-ylbenzoyl)amino]sulfamoyl]benzoic acid CAS Name: 3,4-dimethyl-5-[[[oxo-[2-(1-pyrrolyl)phenyl]methyl]amino]sulfamoyl]benzoic acid IUPAC Name: 3,4-dimethyl-5-[[(2-pyrrol-1-ylbenzoyl)amino]sulfamoyl]benzoic acid Traditional Name: 3,4-dimethyl-5-[[(2-pyrrol-1-ylbenzoyl)amino]sulfamoyl]benzoic acid Formula: C20H19N3O5S MolecularWeight: 413.44696

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC(=C1)C(=O)O)S(=O)(=O)NNC(=O)C2=CC=CC=C2N3C=CC=C3)C

Isomeric SMILES

CC1=C(C(=CC(=C1)C(=O)O)S(=O)(=O)NNC(=O)C2=CC=CC=C2N3C=CC=C3)C

InChI

InChI=1S/C20H19N3O5S/c1-13-11-15(20(25)26)12-18(14(13)2)29(27,28)22-21-19(24)16-7-3-4-8-17(16)23-9-5-6-10-23/h3-12,22H,1-2H3,(H,21,24)(H,25,26)