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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCCNC(=O)C2CCN(CC2)S(=O)(=O)CCCC3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)SCCNC(=O)C2CCN(CC2)S(=O)(=O)CCCC3=CC=CC=C3

InChI

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