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

Systemtic Name: 1-[(3-methylphenyl)methylsulfonyl]-N-[2-(4-methylphenyl)sulfanylethyl]piperidine-4-carboxamide Openeye Name: 1-(m-tolylmethylsulfonyl)-N-[2-(p-tolylsulfanyl)ethyl]piperidine-4-carboxamide CAS Name: 1-[(3-methylphenyl)methylsulfonyl]-N-[2-[(4-methylphenyl)thio]ethyl]-4-piperidinecarboxamide IUPAC Name: 1-[(3-methylphenyl)methylsulfonyl]-N-[2-(4-methylphenyl)sulfanylethyl]piperidine-4-carboxamide Traditional Name: 1-(3-methylbenzyl)sulfonyl-N-[2-(p-tolylthio)ethyl]isonipecotamide Formula: C23H30N2O3S2 MolecularWeight: 446.6259

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCCNC(=O)C2CCN(CC2)S(=O)(=O)CC3=CC=CC(=C3)C

Isomeric SMILES

CC1=CC=C(C=C1)SCCNC(=O)C2CCN(CC2)S(=O)(=O)CC3=CC=CC(=C3)C

InChI

InChI=1S/C23H30N2O3S2/c1-18-6-8-22(9-7-18)29-15-12-24-23(26)21-10-13-25(14-11-21)30(27,28)17-20-5-3-4-19(2)16-20/h3-9,16,21H,10-15,17H2,1-2H3,(H,24,26)