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

Systemtic Name: 4-chloranyl-3-[[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]sulfamoyl]benzoic acid Openeye Name: 4-chloro-3-[[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]sulfamoyl]benzoic acid CAS Name: 4-chloro-3-[[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]sulfamoyl]benzoic acid IUPAC Name: 4-chloro-3-[[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]sulfamoyl]benzoic acid Traditional Name: 4-chloro-3-[[3-(1-pyrrolin-2-ylsulfamoyl)phenyl]sulfamoyl]benzoic acid Formula: C17H16ClN3O6S2 MolecularWeight: 457.90844

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=NC1)NS(=O)(=O)C2=CC=CC(=C2)NS(=O)(=O)C3=C(C=CC(=C3)C(=O)O)Cl

Isomeric SMILES

C1CC(=NC1)NS(=O)(=O)C2=CC=CC(=C2)NS(=O)(=O)C3=C(C=CC(=C3)C(=O)O)Cl

InChI

InChI=1S/C17H16ClN3O6S2/c18-14-7-6-11(17(22)23)9-15(14)29(26,27)20-12-3-1-4-13(10-12)28(24,25)21-16-5-2-8-19-16/h1,3-4,6-7,9-10,20H,2,5,8H2,(H,19,21)(H,22,23)