3-(azepan-1-ylsulfonyl)-N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]benzamide

Systemtic Name: 3-(azepan-1-ylsulfonyl)-N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]benzamide Openeye Name: 3-(azepan-1-ylsulfonyl)-N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]benzamide CAS Name: 3-(1-azepanylsulfonyl)-N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]benzamide IUPAC Name: 3-(azepan-1-ylsulfonyl)-N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]benzamide Traditional Name: 3-(azepan-1-ylsulfonyl)-N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]benzamide Formula: C23H30ClN3O3S MolecularWeight: 464.0206

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(CNC(=O)C1=CC(=CC=C1)S(=O)(=O)N2CCCCCC2)C3=CC=CC=C3Cl

Isomeric SMILES

CN(C)C(CNC(=O)C1=CC(=CC=C1)S(=O)(=O)N2CCCCCC2)C3=CC=CC=C3Cl

InChI

InChI=1S/C23H30ClN3O3S/c1-26(2)22(20-12-5-6-13-21(20)24)17-25-23(28)18-10-9-11-19(16-18)31(29,30)27-14-7-3-4-8-15-27/h5-6,9-13,16,22H,3-4,7-8,14-15,17H2,1-2H3,(H,25,28)