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

Systemtic Name: 3-(azepan-1-yl)-N-butyl-1,4-bis(oxidanylidene)-N-phenyl-naphthalene-2-sulfonamide Openeye Name: 3-(azepan-1-yl)-N-butyl-1,4-dioxo-N-phenyl-naphthalene-2-sulfonamide CAS Name: 3-(1-azepanyl)-N-butyl-1,4-dioxo-N-phenyl-2-naphthalenesulfonamide IUPAC Name: 3-(azepan-1-yl)-N-butyl-1,4-dioxo-N-phenylnaphthalene-2-sulfonamide Traditional Name: 3-(azepan-1-yl)-N-butyl-1,4-diketo-N-phenyl-naphthalene-2-sulfonamide Formula: C26H30N2O4S MolecularWeight: 466.5924

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H30N2O4S/c1-2-3-19-28(20-13-7-6-8-14-20)33(31,32)26-23(27-17-11-4-5-12-18-27)24(29)21-15-9-10-16-22(21)25(26)30/h6-10,13-16H,2-5,11-12,17-19H2,1H3