N-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-N-(2-methoxy-5-methyl-phenyl)benzenesulfonamide

Systemtic Name: N-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-N-(2-methoxy-5-methyl-phenyl)benzenesulfonamide Openeye Name: N-[2-(azepan-1-yl)-2-oxo-ethyl]-N-(2-methoxy-5-methyl-phenyl)benzenesulfonamide CAS Name: N-[2-(1-azepanyl)-2-oxoethyl]-N-(2-methoxy-5-methylphenyl)benzenesulfonamide IUPAC Name: N-[2-(azepan-1-yl)-2-oxoethyl]-N-(2-methoxy-5-methylphenyl)benzenesulfonamide Traditional Name: N-[2-(azepan-1-yl)-2-keto-ethyl]-N-(2-methoxy-5-methyl-phenyl)benzenesulfonamide Formula: C22H28N2O4S MolecularWeight: 416.53372

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)N(CC(=O)N2CCCCCC2)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=CC(=C(C=C1)OC)N(CC(=O)N2CCCCCC2)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C22H28N2O4S/c1-18-12-13-21(28-2)20(16-18)24(29(26,27)19-10-6-5-7-11-19)17-22(25)23-14-8-3-4-9-15-23/h5-7,10-13,16H,3-4,8-9,14-15,17H2,1-2H3