3-[[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]sulfamoyl]-4-methoxy-benzoic acid

Systemtic Name: 3-[[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]sulfamoyl]-4-methoxy-benzoic acid Openeye Name: 3-[[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]sulfamoyl]-4-methoxy-benzoic acid CAS Name: 3-[[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]sulfamoyl]-4-methoxybenzoic acid IUPAC Name: 3-[[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]sulfamoyl]-4-methoxybenzoic acid Traditional Name: 4-methoxy-3-[[3-(1-pyrrolin-2-ylsulfamoyl)phenyl]sulfamoyl]benzoic acid Formula: C18H19N3O7S2 MolecularWeight: 453.48936

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)O)S(=O)(=O)NC2=CC(=CC=C2)S(=O)(=O)NC3=NCCC3

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)O)S(=O)(=O)NC2=CC(=CC=C2)S(=O)(=O)NC3=NCCC3

InChI

InChI=1S/C18H19N3O7S2/c1-28-15-8-7-12(18(22)23)10-16(15)30(26,27)20-13-4-2-5-14(11-13)29(24,25)21-17-6-3-9-19-17/h2,4-5,7-8,10-11,20H,3,6,9H2,1H3,(H,19,21)(H,22,23)