1-(4-methylphenyl)sulfonyl-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]piperidine-4-carboxamide

Systemtic Name: 1-(4-methylphenyl)sulfonyl-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]piperidine-4-carboxamide Openeye Name: 1-(p-tolylsulfonyl)-N-[4-(3-pyridylmethylsulfanyl)phenyl]piperidine-4-carboxamide CAS Name: 1-(4-methylphenyl)sulfonyl-N-[4-(3-pyridinylmethylthio)phenyl]-4-piperidinecarboxamide IUPAC Name: 1-(4-methylphenyl)sulfonyl-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]piperidine-4-carboxamide Traditional Name: N-[4-(3-pyridylmethylthio)phenyl]-1-tosyl-isonipecotamide Formula: C25H27N3O3S2 MolecularWeight: 481.63018

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC3=CC=C(C=C3)SCC4=CN=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC3=CC=C(C=C3)SCC4=CN=CC=C4

InChI

InChI=1S/C25H27N3O3S2/c1-19-4-10-24(11-5-19)33(30,31)28-15-12-21(13-16-28)25(29)27-22-6-8-23(9-7-22)32-18-20-3-2-14-26-17-20/h2-11,14,17,21H,12-13,15-16,18H2,1H3,(H,27,29)