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

Systemtic Name: 2-chloranyl-5-[[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]sulfamoyl]benzoic acid Openeye Name: 2-chloro-5-[[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]sulfamoyl]benzoic acid CAS Name: 2-chloro-5-[[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]sulfamoyl]benzoic acid IUPAC Name: 2-chloro-5-[[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]sulfamoyl]benzoic acid Traditional Name: 2-chloro-5-[[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=CC(=C(C=C3)Cl)C(=O)O

Isomeric SMILES

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

InChI

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