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

Systemtic Name: N-[2-[(3-methylphenyl)methylsulfanyl]ethyl]-1-[(4-methylphenyl)methylsulfonyl]piperidine-4-carboxamide Openeye Name: N-[2-(m-tolylmethylsulfanyl)ethyl]-1-(p-tolylmethylsulfonyl)piperidine-4-carboxamide CAS Name: 1-[(4-methylphenyl)methylsulfonyl]-N-[2-[(3-methylphenyl)methylthio]ethyl]-4-piperidinecarboxamide IUPAC Name: N-[2-[(3-methylphenyl)methylsulfanyl]ethyl]-1-[(4-methylphenyl)methylsulfonyl]piperidine-4-carboxamide Traditional Name: 1-(4-methylbenzyl)sulfonyl-N-[2-[(3-methylbenzyl)thio]ethyl]isonipecotamide Formula: C24H32N2O3S2 MolecularWeight: 460.65248

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H32N2O3S2/c1-19-6-8-21(9-7-19)18-31(28,29)26-13-10-23(11-14-26)24(27)25-12-15-30-17-22-5-3-4-20(2)16-22/h3-9,16,23H,10-15,17-18H2,1-2H3,(H,25,27)