3-(azepan-1-yl)-1,4-bis(oxidanylidene)-N-[2-(4-sulfamoylphenyl)ethyl]naphthalene-2-sulfonamide

Systemtic Name: 3-(azepan-1-yl)-1,4-bis(oxidanylidene)-N-[2-(4-sulfamoylphenyl)ethyl]naphthalene-2-sulfonamide Openeye Name: 3-(azepan-1-yl)-1,4-dioxo-N-[2-(4-sulfamoylphenyl)ethyl]naphthalene-2-sulfonamide CAS Name: 3-(1-azepanyl)-1,4-dioxo-N-[2-(4-sulfamoylphenyl)ethyl]-2-naphthalenesulfonamide IUPAC Name: 3-(azepan-1-yl)-1,4-dioxo-N-[2-(4-sulfamoylphenyl)ethyl]naphthalene-2-sulfonamide Traditional Name: 3-(azepan-1-yl)-1,4-diketo-N-[2-(4-sulfamoylphenyl)ethyl]naphthalene-2-sulfonamide Formula: C24H27N3O6S2 MolecularWeight: 517.61768

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=C(C(=O)C3=CC=CC=C3C2=O)S(=O)(=O)NCCC4=CC=C(C=C4)S(=O)(=O)N

Isomeric SMILES

C1CCCN(CC1)C2=C(C(=O)C3=CC=CC=C3C2=O)S(=O)(=O)NCCC4=CC=C(C=C4)S(=O)(=O)N

InChI

InChI=1S/C24H27N3O6S2/c25-34(30,31)18-11-9-17(10-12-18)13-14-26-35(32,33)24-21(27-15-5-1-2-6-16-27)22(28)19-7-3-4-8-20(19)23(24)29/h3-4,7-12,26H,1-2,5-6,13-16H2,(H2,25,30,31)