N-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-N-[(2-chlorophenyl)methyl]-4-ethanoyl-benzenesulfonamide

Systemtic Name: N-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-N-[(2-chlorophenyl)methyl]-4-ethanoyl-benzenesulfonamide Openeye Name: 4-acetyl-N-[2-(azepan-1-yl)-2-oxo-ethyl]-N-[(2-chlorophenyl)methyl]benzenesulfonamide CAS Name: 4-acetyl-N-[2-(1-azepanyl)-2-oxoethyl]-N-[(2-chlorophenyl)methyl]benzenesulfonamide IUPAC Name: 4-acetyl-N-[2-(azepan-1-yl)-2-oxoethyl]-N-[(2-chlorophenyl)methyl]benzenesulfonamide Traditional Name: 4-acetyl-N-[2-(azepan-1-yl)-2-keto-ethyl]-N-(2-chlorobenzyl)benzenesulfonamide Formula: C23H27ClN2O4S MolecularWeight: 462.98948

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)S(=O)(=O)N(CC2=CC=CC=C2Cl)CC(=O)N3CCCCCC3

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)S(=O)(=O)N(CC2=CC=CC=C2Cl)CC(=O)N3CCCCCC3

InChI

InChI=1S/C23H27ClN2O4S/c1-18(27)19-10-12-21(13-11-19)31(29,30)26(16-20-8-4-5-9-22(20)24)17-23(28)25-14-6-2-3-7-15-25/h4-5,8-13H,2-3,6-7,14-17H2,1H3