N-[2-(4-methylphenyl)sulfanylethyl]-1-[2-(trifluoromethyl)phenyl]sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-[2-(4-methylphenyl)sulfanylethyl]-1-[2-(trifluoromethyl)phenyl]sulfonyl-piperidine-4-carboxamide Openeye Name: N-[2-(p-tolylsulfanyl)ethyl]-1-[2-(trifluoromethyl)phenyl]sulfonyl-piperidine-4-carboxamide CAS Name: N-[2-[(4-methylphenyl)thio]ethyl]-1-[2-(trifluoromethyl)phenyl]sulfonyl-4-piperidinecarboxamide IUPAC Name: N-[2-(4-methylphenyl)sulfanylethyl]-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide Traditional Name: N-[2-(p-tolylthio)ethyl]-1-[2-(trifluoromethyl)phenyl]sulfonyl-isonipecotamide Formula: C22H25F3N2O3S2 MolecularWeight: 486.57071

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCCNC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C(F)(F)F

Isomeric SMILES

CC1=CC=C(C=C1)SCCNC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C(F)(F)F

InChI

InChI=1S/C22H25F3N2O3S2/c1-16-6-8-18(9-7-16)31-15-12-26-21(28)17-10-13-27(14-11-17)32(29,30)20-5-3-2-4-19(20)22(23,24)25/h2-9,17H,10-15H2,1H3,(H,26,28)