3-[(4-cyanophenyl)sulfonylamino]-N-(3,4-dihydro-2H-pyrrol-1-ium-5-yl)benzenesulfonamide

Systemtic Name: 3-[(4-cyanophenyl)sulfonylamino]-N-(3,4-dihydro-2H-pyrrol-1-ium-5-yl)benzenesulfonamide Openeye Name: 3-[(4-cyanophenyl)sulfonylamino]-N-(3,4-dihydro-2H-pyrrol-1-ium-5-yl)benzenesulfonamide CAS Name: 3-[(4-cyanophenyl)sulfonylamino]-N-(3,4-dihydro-2H-pyrrol-1-ium-5-yl)benzenesulfonamide IUPAC Name: 3-[(4-cyanophenyl)sulfonylamino]-N-(3,4-dihydro-2H-pyrrol-1-ium-5-yl)benzenesulfonamide Traditional Name: 3-[(4-cyanophenyl)sulfonylamino]-N-(1-pyrrolin-1-ium-2-yl)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=C(C=C3)C#N

Isomeric SMILES

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

InChI

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