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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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