N-[4-(azepan-1-ylcarbonyl)phenyl]-N-[(2-chlorophenyl)methyl]methanesulfonamide

Systemtic Name: N-[4-(azepan-1-ylcarbonyl)phenyl]-N-[(2-chlorophenyl)methyl]methanesulfonamide Openeye Name: N-[4-(azepane-1-carbonyl)phenyl]-N-[(2-chlorophenyl)methyl]methanesulfonamide CAS Name: N-[4-[1-azepanyl(oxo)methyl]phenyl]-N-[(2-chlorophenyl)methyl]methanesulfonamide IUPAC Name: N-[4-(azepane-1-carbonyl)phenyl]-N-[(2-chlorophenyl)methyl]methanesulfonamide Traditional Name: N-[4-(azepane-1-carbonyl)phenyl]-N-(2-chlorobenzyl)methanesulfonamide Formula: C21H25ClN2O3S MolecularWeight: 420.9528

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N(CC1=CC=CC=C1Cl)C2=CC=C(C=C2)C(=O)N3CCCCCC3

Isomeric SMILES

CS(=O)(=O)N(CC1=CC=CC=C1Cl)C2=CC=C(C=C2)C(=O)N3CCCCCC3

InChI

InChI=1S/C21H25ClN2O3S/c1-28(26,27)24(16-18-8-4-5-9-20(18)22)19-12-10-17(11-13-19)21(25)23-14-6-2-3-7-15-23/h4-5,8-13H,2-3,6-7,14-16H2,1H3