3-[(4-nitrophenyl)sulfonylamino]-N-(3,4,5,6-tetrahydro-2H-azepin-7-yl)benzenesulfonamide

Systemtic Name: 3-[(4-nitrophenyl)sulfonylamino]-N-(3,4,5,6-tetrahydro-2H-azepin-7-yl)benzenesulfonamide Openeye Name: 3-[(4-nitrophenyl)sulfonylamino]-N-(3,4,5,6-tetrahydro-2H-azepin-7-yl)benzenesulfonamide CAS Name: 3-[(4-nitrophenyl)sulfonylamino]-N-(3,4,5,6-tetrahydro-2H-azepin-7-yl)benzenesulfonamide IUPAC Name: 3-[(4-nitrophenyl)sulfonylamino]-N-(3,4,5,6-tetrahydro-2H-azepin-7-yl)benzenesulfonamide Traditional Name: 3-(nosylamino)-N-(3,4,5,6-tetrahydro-2H-azepin-7-yl)benzenesulfonamide Formula: C18H20N4O6S2 MolecularWeight: 452.5046

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=NCC1)NS(=O)(=O)C2=CC=CC(=C2)NS(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1CCC(=NCC1)NS(=O)(=O)C2=CC=CC(=C2)NS(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H20N4O6S2/c23-22(24)15-8-10-16(11-9-15)29(25,26)20-14-5-4-6-17(13-14)30(27,28)21-18-7-2-1-3-12-19-18/h4-6,8-11,13,20H,1-3,7,12H2,(H,19,21)