N-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-N-[(3-chlorophenyl)methyl]-4-methyl-benzenesulfonamide

Systemtic Name: N-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-N-[(3-chlorophenyl)methyl]-4-methyl-benzenesulfonamide Openeye Name: N-[2-(azepan-1-yl)-2-oxo-ethyl]-N-[(3-chlorophenyl)methyl]-4-methyl-benzenesulfonamide CAS Name: N-[2-(1-azepanyl)-2-oxoethyl]-N-[(3-chlorophenyl)methyl]-4-methylbenzenesulfonamide IUPAC Name: N-[2-(azepan-1-yl)-2-oxoethyl]-N-[(3-chlorophenyl)methyl]-4-methylbenzenesulfonamide Traditional Name: N-[2-(azepan-1-yl)-2-keto-ethyl]-N-(3-chlorobenzyl)-4-methyl-benzenesulfonamide Formula: C22H27ClN2O3S MolecularWeight: 434.97938

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(CC2=CC(=CC=C2)Cl)CC(=O)N3CCCCCC3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(CC2=CC(=CC=C2)Cl)CC(=O)N3CCCCCC3

InChI

InChI=1S/C22H27ClN2O3S/c1-18-9-11-21(12-10-18)29(27,28)25(16-19-7-6-8-20(23)15-19)17-22(26)24-13-4-2-3-5-14-24/h6-12,15H,2-5,13-14,16-17H2,1H3