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

Systemtic Name: N-(3,4-dihydro-2H-pyrrol-1-ium-5-yl)-3-[(4-nitrophenyl)sulfonylamino]benzenesulfonamide Openeye Name: N-(3,4-dihydro-2H-pyrrol-1-ium-5-yl)-3-[(4-nitrophenyl)sulfonylamino]benzenesulfonamide CAS Name: N-(3,4-dihydro-2H-pyrrol-1-ium-5-yl)-3-[(4-nitrophenyl)sulfonylamino]benzenesulfonamide IUPAC Name: N-(3,4-dihydro-2H-pyrrol-1-ium-5-yl)-3-[(4-nitrophenyl)sulfonylamino]benzenesulfonamide Traditional Name: 3-(nosylamino)-N-(1-pyrrolin-1-ium-2-yl)benzenesulfonamide Formula: C16H17N4O6S2+ MolecularWeight: 425.45938

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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)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C16H16N4O6S2/c21-20(22)13-6-8-14(9-7-13)27(23,24)18-12-3-1-4-15(11-12)28(25,26)19-16-5-2-10-17-16/h1,3-4,6-9,11,18H,2,5,10H2,(H,17,19)/p+1