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

Systemtic Name: 3-(azepan-1-yl)-N-ethyl-N-(3-methylphenyl)-1,4-bis(oxidanylidene)naphthalene-2-sulfonamide Openeye Name: 3-(azepan-1-yl)-N-ethyl-N-(m-tolyl)-1,4-dioxo-naphthalene-2-sulfonamide CAS Name: 3-(1-azepanyl)-N-ethyl-N-(3-methylphenyl)-1,4-dioxo-2-naphthalenesulfonamide IUPAC Name: 3-(azepan-1-yl)-N-ethyl-N-(3-methylphenyl)-1,4-dioxonaphthalene-2-sulfonamide Traditional Name: 3-(azepan-1-yl)-N-ethyl-1,4-diketo-N-(m-tolyl)naphthalene-2-sulfonamide Formula: C25H28N2O4S MolecularWeight: 452.56582

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=CC=CC(=C1)C)S(=O)(=O)C2=C(C(=O)C3=CC=CC=C3C2=O)N4CCCCCC4

Isomeric SMILES

CCN(C1=CC=CC(=C1)C)S(=O)(=O)C2=C(C(=O)C3=CC=CC=C3C2=O)N4CCCCCC4

InChI

InChI=1S/C25H28N2O4S/c1-3-27(19-12-10-11-18(2)17-19)32(30,31)25-22(26-15-8-4-5-9-16-26)23(28)20-13-6-7-14-21(20)24(25)29/h6-7,10-14,17H,3-5,8-9,15-16H2,1-2H3