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

Systemtic Name: N-[2-(4-methylphenyl)sulfanylethyl]-1-(3-phenylpropylsulfonyl)piperidine-3-carboxamide Openeye Name: 1-(3-phenylpropylsulfonyl)-N-[2-(p-tolylsulfanyl)ethyl]piperidine-3-carboxamide CAS Name: N-[2-[(4-methylphenyl)thio]ethyl]-1-(3-phenylpropylsulfonyl)-3-piperidinecarboxamide IUPAC Name: N-[2-(4-methylphenyl)sulfanylethyl]-1-(3-phenylpropylsulfonyl)piperidine-3-carboxamide Traditional Name: 1-(3-phenylpropylsulfonyl)-N-[2-(p-tolylthio)ethyl]nipecotamide Formula: C24H32N2O3S2 MolecularWeight: 460.65248

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCCNC(=O)C2CCCN(C2)S(=O)(=O)CCCC3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)SCCNC(=O)C2CCCN(C2)S(=O)(=O)CCCC3=CC=CC=C3

InChI

InChI=1S/C24H32N2O3S2/c1-20-11-13-23(14-12-20)30-17-15-25-24(27)22-10-5-16-26(19-22)31(28,29)18-6-9-21-7-3-2-4-8-21/h2-4,7-8,11-14,22H,5-6,9-10,15-19H2,1H3,(H,25,27)