3-(azepan-1-ylcarbonyl)-4-methoxy-N-methyl-N-(phenylmethyl)benzenesulfonamide

Systemtic Name: 3-(azepan-1-ylcarbonyl)-4-methoxy-N-methyl-N-(phenylmethyl)benzenesulfonamide Openeye Name: 3-(azepane-1-carbonyl)-N-benzyl-4-methoxy-N-methyl-benzenesulfonamide CAS Name: 3-[1-azepanyl(oxo)methyl]-4-methoxy-N-methyl-N-(phenylmethyl)benzenesulfonamide IUPAC Name: 3-(azepane-1-carbonyl)-N-benzyl-4-methoxy-N-methylbenzenesulfonamide Traditional Name: 3-(azepane-1-carbonyl)-N-benzyl-4-methoxy-N-methyl-benzenesulfonamide Formula: C22H28N2O4S MolecularWeight: 416.53372

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=CC=C1)S(=O)(=O)C2=CC(=C(C=C2)OC)C(=O)N3CCCCCC3

Isomeric SMILES

CN(CC1=CC=CC=C1)S(=O)(=O)C2=CC(=C(C=C2)OC)C(=O)N3CCCCCC3

InChI

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