N-(3,4-dihydro-2H-pyrrol-1-ium-5-yl)-3-(phenylsulfonylamino)benzenesulfonamide

Systemtic Name: N-(3,4-dihydro-2H-pyrrol-1-ium-5-yl)-3-(phenylsulfonylamino)benzenesulfonamide Openeye Name: 3-(benzenesulfonamido)-N-(3,4-dihydro-2H-pyrrol-1-ium-5-yl)benzenesulfonamide CAS Name: 3-(benzenesulfonamido)-N-(3,4-dihydro-2H-pyrrol-1-ium-5-yl)benzenesulfonamide IUPAC Name: 3-(benzenesulfonamido)-N-(3,4-dihydro-2H-pyrrol-1-ium-5-yl)benzenesulfonamide Traditional Name: 3-(benzenesulfonamido)-N-(1-pyrrolin-1-ium-2-yl)benzenesulfonamide Formula: C16H18N3O4S2+ MolecularWeight: 380.46182

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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

Isomeric SMILES

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

InChI

InChI=1S/C16H17N3O4S2/c20-24(21,14-7-2-1-3-8-14)18-13-6-4-9-15(12-13)25(22,23)19-16-10-5-11-17-16/h1-4,6-9,12,18H,5,10-11H2,(H,17,19)/p+1