N-[2-[(3-chlorophenyl)methylsulfanyl]ethyl]-1-[(2-methylphenyl)methylsulfonyl]piperidine-4-carboxamide

Systemtic Name: N-[2-[(3-chlorophenyl)methylsulfanyl]ethyl]-1-[(2-methylphenyl)methylsulfonyl]piperidine-4-carboxamide Openeye Name: N-[2-[(3-chlorophenyl)methylsulfanyl]ethyl]-1-(o-tolylmethylsulfonyl)piperidine-4-carboxamide CAS Name: N-[2-[(3-chlorophenyl)methylthio]ethyl]-1-[(2-methylphenyl)methylsulfonyl]-4-piperidinecarboxamide IUPAC Name: N-[2-[(3-chlorophenyl)methylsulfanyl]ethyl]-1-[(2-methylphenyl)methylsulfonyl]piperidine-4-carboxamide Traditional Name: N-[2-[(3-chlorobenzyl)thio]ethyl]-1-(2-methylbenzyl)sulfonyl-isonipecotamide Formula: C23H29ClN2O3S2 MolecularWeight: 481.07096

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CS(=O)(=O)N2CCC(CC2)C(=O)NCCSCC3=CC(=CC=C3)Cl

Isomeric SMILES

CC1=CC=CC=C1CS(=O)(=O)N2CCC(CC2)C(=O)NCCSCC3=CC(=CC=C3)Cl

InChI

InChI=1S/C23H29ClN2O3S2/c1-18-5-2-3-7-21(18)17-31(28,29)26-12-9-20(10-13-26)23(27)25-11-14-30-16-19-6-4-8-22(24)15-19/h2-8,15,20H,9-14,16-17H2,1H3,(H,25,27)