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

Systemtic Name: 3-[(3-bromophenyl)sulfonylamino]-N-(3,4-dihydro-2H-pyrrol-1-ium-5-yl)benzenesulfonamide Openeye Name: 3-[(3-bromophenyl)sulfonylamino]-N-(3,4-dihydro-2H-pyrrol-1-ium-5-yl)benzenesulfonamide CAS Name: 3-[(3-bromophenyl)sulfonylamino]-N-(3,4-dihydro-2H-pyrrol-1-ium-5-yl)benzenesulfonamide IUPAC Name: 3-[(3-bromophenyl)sulfonylamino]-N-(3,4-dihydro-2H-pyrrol-1-ium-5-yl)benzenesulfonamide Traditional Name: 3-[(3-bromophenyl)sulfonylamino]-N-(1-pyrrolin-1-ium-2-yl)benzenesulfonamide Formula: C16H17BrN3O4S2+ MolecularWeight: 459.35788

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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)Br

Isomeric SMILES

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

InChI

InChI=1S/C16H16BrN3O4S2/c17-12-4-1-6-14(10-12)25(21,22)19-13-5-2-7-15(11-13)26(23,24)20-16-8-3-9-18-16/h1-2,4-7,10-11,19H,3,8-9H2,(H,18,20)/p+1