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

Systemtic Name: 3-(azepan-1-yl)-N-butyl-N-methyl-1,4-bis(oxidanylidene)naphthalene-2-sulfonamide Openeye Name: 3-(azepan-1-yl)-N-butyl-N-methyl-1,4-dioxo-naphthalene-2-sulfonamide CAS Name: 3-(1-azepanyl)-N-butyl-N-methyl-1,4-dioxo-2-naphthalenesulfonamide IUPAC Name: 3-(azepan-1-yl)-N-butyl-N-methyl-1,4-dioxonaphthalene-2-sulfonamide Traditional Name: 3-(azepan-1-yl)-N-butyl-1,4-diketo-N-methyl-naphthalene-2-sulfonamide Formula: C21H28N2O4S MolecularWeight: 404.52302

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN(C)S(=O)(=O)C1=C(C(=O)C2=CC=CC=C2C1=O)N3CCCCCC3

Isomeric SMILES

CCCCN(C)S(=O)(=O)C1=C(C(=O)C2=CC=CC=C2C1=O)N3CCCCCC3

InChI

InChI=1S/C21H28N2O4S/c1-3-4-13-22(2)28(26,27)21-18(23-14-9-5-6-10-15-23)19(24)16-11-7-8-12-17(16)20(21)25/h7-8,11-12H,3-6,9-10,13-15H2,1-2H3