3-cyano-N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]benzenesulfonamide

Systemtic Name: 3-cyano-N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]benzenesulfonamide Openeye Name: 3-cyano-N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]benzenesulfonamide CAS Name: 3-cyano-N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]benzenesulfonamide IUPAC Name: 3-cyano-N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]benzenesulfonamide Traditional Name: 3-cyano-N-[3-(1-pyrrolin-1-ium-2-ylsulfamoyl)phenyl]benzenesulfonamide Formula: C17H17N4O4S2+ MolecularWeight: 405.47128

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=[NH+]C1)NS(=O)(=O)C2=CC=CC(=C2)NS(=O)(=O)C3=CC=CC(=C3)C#N

Isomeric SMILES

C1CC(=[NH+]C1)NS(=O)(=O)C2=CC=CC(=C2)NS(=O)(=O)C3=CC=CC(=C3)C#N

InChI

InChI=1S/C17H16N4O4S2/c18-12-13-4-1-6-15(10-13)26(22,23)20-14-5-2-7-16(11-14)27(24,25)21-17-8-3-9-19-17/h1-2,4-7,10-11,20H,3,8-9H2,(H,19,21)/p+1