2-[(2-methoxy-2-oxidanylidene-ethyl)-(2-pyrrol-1-ylphenyl)sulfamoyl]benzoic acid

Systemtic Name: 2-[(2-methoxy-2-oxidanylidene-ethyl)-(2-pyrrol-1-ylphenyl)sulfamoyl]benzoic acid Openeye Name: 2-[(2-methoxy-2-oxo-ethyl)-(2-pyrrol-1-ylphenyl)sulfamoyl]benzoic acid CAS Name: 2-[(2-methoxy-2-oxoethyl)-[2-(1-pyrrolyl)phenyl]sulfamoyl]benzoic acid IUPAC Name: 2-[(2-methoxy-2-oxoethyl)-(2-pyrrol-1-ylphenyl)sulfamoyl]benzoic acid Traditional Name: 2-[(2-keto-2-methoxy-ethyl)-(2-pyrrol-1-ylphenyl)sulfamoyl]benzoic acid Formula: C20H18N2O6S MolecularWeight: 414.43172

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CN(C1=CC=CC=C1N2C=CC=C2)S(=O)(=O)C3=CC=CC=C3C(=O)O

Isomeric SMILES

COC(=O)CN(C1=CC=CC=C1N2C=CC=C2)S(=O)(=O)C3=CC=CC=C3C(=O)O

InChI

InChI=1S/C20H18N2O6S/c1-28-19(23)14-22(17-10-4-3-9-16(17)21-12-6-7-13-21)29(26,27)18-11-5-2-8-15(18)20(24)25/h2-13H,14H2,1H3,(H,24,25)