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

Systemtic Name: N-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-N-(3-chloranyl-4-methoxy-phenyl)-4-methyl-benzenesulfonamide Openeye Name: N-[2-(azepan-1-yl)-2-oxo-ethyl]-N-(3-chloro-4-methoxy-phenyl)-4-methyl-benzenesulfonamide CAS Name: N-[2-(1-azepanyl)-2-oxoethyl]-N-(3-chloro-4-methoxyphenyl)-4-methylbenzenesulfonamide IUPAC Name: N-[2-(azepan-1-yl)-2-oxoethyl]-N-(3-chloro-4-methoxyphenyl)-4-methylbenzenesulfonamide Traditional Name: N-[2-(azepan-1-yl)-2-keto-ethyl]-N-(3-chloro-4-methoxy-phenyl)-4-methyl-benzenesulfonamide Formula: C22H27ClN2O4S MolecularWeight: 450.97878

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27ClN2O4S/c1-17-7-10-19(11-8-17)30(27,28)25(18-9-12-21(29-2)20(23)15-18)16-22(26)24-13-5-3-4-6-14-24/h7-12,15H,3-6,13-14,16H2,1-2H3