1-(2-cyanophenyl)sulfonyl-N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]piperidine-4-carboxamide

Systemtic Name: 1-(2-cyanophenyl)sulfonyl-N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]piperidine-4-carboxamide Openeye Name: 1-(2-cyanophenyl)sulfonyl-N-[2-(p-tolylmethylsulfanyl)ethyl]piperidine-4-carboxamide CAS Name: 1-(2-cyanophenyl)sulfonyl-N-[2-[(4-methylphenyl)methylthio]ethyl]-4-piperidinecarboxamide IUPAC Name: 1-(2-cyanophenyl)sulfonyl-N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]piperidine-4-carboxamide Traditional Name: 1-(2-cyanophenyl)sulfonyl-N-[2-[(4-methylbenzyl)thio]ethyl]isonipecotamide Formula: C23H27N3O3S2 MolecularWeight: 457.60878

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CSCCNC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C#N

Isomeric SMILES

CC1=CC=C(C=C1)CSCCNC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C#N

InChI

InChI=1S/C23H27N3O3S2/c1-18-6-8-19(9-7-18)17-30-15-12-25-23(27)20-10-13-26(14-11-20)31(28,29)22-5-3-2-4-21(22)16-24/h2-9,20H,10-15,17H2,1H3,(H,25,27)