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

Systemtic Name: 4-[(4-nitrophenyl)sulfonylamino]-N-(3,4,5,6-tetrahydro-2H-azepin-7-yl)benzenesulfonamide Openeye Name: 4-[(4-nitrophenyl)sulfonylamino]-N-(3,4,5,6-tetrahydro-2H-azepin-7-yl)benzenesulfonamide CAS Name: 4-[(4-nitrophenyl)sulfonylamino]-N-(3,4,5,6-tetrahydro-2H-azepin-7-yl)benzenesulfonamide IUPAC Name: 4-[(4-nitrophenyl)sulfonylamino]-N-(3,4,5,6-tetrahydro-2H-azepin-7-yl)benzenesulfonamide Traditional Name: 4-(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=C(C=C2)NS(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C18H20N4O6S2/c23-22(24)15-7-11-17(12-8-15)29(25,26)20-14-5-9-16(10-6-14)30(27,28)21-18-4-2-1-3-13-19-18/h5-12,20H,1-4,13H2,(H,19,21)