4-[2-(azepan-1-yl)-2-oxidanylidene-ethoxy]-3-methyl-N-(4-methylphenyl)benzenesulfonamide

Systemtic Name: 4-[2-(azepan-1-yl)-2-oxidanylidene-ethoxy]-3-methyl-N-(4-methylphenyl)benzenesulfonamide Openeye Name: 4-[2-(azepan-1-yl)-2-oxo-ethoxy]-3-methyl-N-(p-tolyl)benzenesulfonamide CAS Name: 4-[2-(1-azepanyl)-2-oxoethoxy]-3-methyl-N-(4-methylphenyl)benzenesulfonamide IUPAC Name: 4-[2-(azepan-1-yl)-2-oxoethoxy]-3-methyl-N-(4-methylphenyl)benzenesulfonamide Traditional Name: 4-[2-(azepan-1-yl)-2-keto-ethoxy]-3-methyl-N-(p-tolyl)benzenesulfonamide Formula: C22H28N2O4S MolecularWeight: 416.53372

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NS(=O)(=O)C2=CC(=C(C=C2)OCC(=O)N3CCCCCC3)C

Isomeric SMILES

CC1=CC=C(C=C1)NS(=O)(=O)C2=CC(=C(C=C2)OCC(=O)N3CCCCCC3)C

InChI

InChI=1S/C22H28N2O4S/c1-17-7-9-19(10-8-17)23-29(26,27)20-11-12-21(18(2)15-20)28-16-22(25)24-13-5-3-4-6-14-24/h7-12,15,23H,3-6,13-14,16H2,1-2H3