3-(azepan-1-yl)-N-(4-nitrophenyl)-1,4-bis(oxidanylidene)naphthalene-2-sulfonamide

Systemtic Name: 3-(azepan-1-yl)-N-(4-nitrophenyl)-1,4-bis(oxidanylidene)naphthalene-2-sulfonamide Openeye Name: 3-(azepan-1-yl)-N-(4-nitrophenyl)-1,4-dioxo-naphthalene-2-sulfonamide CAS Name: 3-(1-azepanyl)-N-(4-nitrophenyl)-1,4-dioxo-2-naphthalenesulfonamide IUPAC Name: 3-(azepan-1-yl)-N-(4-nitrophenyl)-1,4-dioxonaphthalene-2-sulfonamide Traditional Name: 3-(azepan-1-yl)-1,4-diketo-N-(4-nitrophenyl)naphthalene-2-sulfonamide Formula: C22H21N3O6S MolecularWeight: 455.48364

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=C(C(=O)C3=CC=CC=C3C2=O)S(=O)(=O)NC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1CCCN(CC1)C2=C(C(=O)C3=CC=CC=C3C2=O)S(=O)(=O)NC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H21N3O6S/c26-20-17-7-3-4-8-18(17)21(27)22(19(20)24-13-5-1-2-6-14-24)32(30,31)23-15-9-11-16(12-10-15)25(28)29/h3-4,7-12,23H,1-2,5-6,13-14H2