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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CS(=O)(=O)N2CCC(CC2)C(=O)NCCSCC3=CC(=CC=C3)Cl

Isomeric SMILES

CC1=CC(=CC=C1)CS(=O)(=O)N2CCC(CC2)C(=O)NCCSCC3=CC(=CC=C3)Cl

InChI

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