4-[[1-(3,4-dimethoxyphenyl)-5-oxidanylidene-pyrrolidin-3-yl]sulfamoyl]benzoic acid

Systemtic Name: 4-[[1-(3,4-dimethoxyphenyl)-5-oxidanylidene-pyrrolidin-3-yl]sulfamoyl]benzoic acid Openeye Name: 4-[[1-(3,4-dimethoxyphenyl)-5-oxo-pyrrolidin-3-yl]sulfamoyl]benzoic acid CAS Name: 4-[[1-(3,4-dimethoxyphenyl)-5-oxo-3-pyrrolidinyl]sulfamoyl]benzoic acid IUPAC Name: 4-[[1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]sulfamoyl]benzoic acid Traditional Name: 4-[[1-(3,4-dimethoxyphenyl)-5-keto-pyrrolidin-3-yl]sulfamoyl]benzoic acid Formula: C19H20N2O7S MolecularWeight: 420.4363

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)N2CC(CC2=O)NS(=O)(=O)C3=CC=C(C=C3)C(=O)O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)N2CC(CC2=O)NS(=O)(=O)C3=CC=C(C=C3)C(=O)O)OC

InChI

InChI=1S/C19H20N2O7S/c1-27-16-8-5-14(10-17(16)28-2)21-11-13(9-18(21)22)20-29(25,26)15-6-3-12(4-7-15)19(23)24/h3-8,10,13,20H,9,11H2,1-2H3,(H,23,24)