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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=CC=CC=C1C)S(=O)(=O)C2=C(C(=O)C3=CC=CC=C3C2=O)N4CCCCCC4

Isomeric SMILES

CCN(C1=CC=CC=C1C)S(=O)(=O)C2=C(C(=O)C3=CC=CC=C3C2=O)N4CCCCCC4

InChI

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