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

Systemtic Name: N-(3,4-dihydro-2H-pyrrol-1-ium-5-yl)-3-[(phenylmethyl)sulfonylamino]benzenesulfonamide Openeye Name: 3-(benzylsulfonylamino)-N-(3,4-dihydro-2H-pyrrol-1-ium-5-yl)benzenesulfonamide CAS Name: N-(3,4-dihydro-2H-pyrrol-1-ium-5-yl)-3-[(phenylmethyl)sulfonylamino]benzenesulfonamide IUPAC Name: 3-(benzylsulfonylamino)-N-(3,4-dihydro-2H-pyrrol-1-ium-5-yl)benzenesulfonamide Traditional Name: 3-(benzylsulfonylamino)-N-(1-pyrrolin-1-ium-2-yl)benzenesulfonamide Formula: C17H20N3O4S2+ MolecularWeight: 394.4884

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=[NH+]C1)NS(=O)(=O)C2=CC=CC(=C2)NS(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

C1CC(=[NH+]C1)NS(=O)(=O)C2=CC=CC(=C2)NS(=O)(=O)CC3=CC=CC=C3

InChI

InChI=1S/C17H19N3O4S2/c21-25(22,13-14-6-2-1-3-7-14)19-15-8-4-9-16(12-15)26(23,24)20-17-10-5-11-18-17/h1-4,6-9,12,19H,5,10-11,13H2,(H,18,20)/p+1