3-[(3-nitro-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methylamino]-N-(3,4,5,6-tetrahydro-2H-azepin-7-yl)benzenesulfonamide

Systemtic Name: 3-[(3-nitro-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methylamino]-N-(3,4,5,6-tetrahydro-2H-azepin-7-yl)benzenesulfonamide Openeye Name: 3-[(3-nitro-6-oxo-cyclohexa-2,4-dien-1-ylidene)methylamino]-N-(3,4,5,6-tetrahydro-2H-azepin-7-yl)benzenesulfonamide CAS Name: 3-[(3-nitro-6-oxo-1-cyclohexa-2,4-dienylidene)methylamino]-N-(3,4,5,6-tetrahydro-2H-azepin-7-yl)benzenesulfonamide IUPAC Name: 3-[(3-nitro-6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]-N-(3,4,5,6-tetrahydro-2H-azepin-7-yl)benzenesulfonamide Traditional Name: 3-[(6-keto-3-nitro-cyclohexa-2,4-dien-1-ylidene)methylamino]-N-(3,4,5,6-tetrahydro-2H-azepin-7-yl)benzenesulfonamide Formula: C19H20N4O5S MolecularWeight: 416.4509

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=NCC1)NS(=O)(=O)C2=CC=CC(=C2)NC=C3C=C(C=CC3=O)[N+](=O)[O-]

Isomeric SMILES

C1CCC(=NCC1)NS(=O)(=O)C2=CC=CC(=C2)NC=C3C=C(C=CC3=O)[N+](=O)[O-]

InChI

InChI=1S/C19H20N4O5S/c24-18-9-8-16(23(25)26)11-14(18)13-21-15-5-4-6-17(12-15)29(27,28)22-19-7-2-1-3-10-20-19/h4-6,8-9,11-13,21H,1-3,7,10H2,(H,20,22)