N-[1-(4-methylsulfanylphenyl)ethyl]-1-[2-(trifluoromethyl)phenyl]sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-[1-(4-methylsulfanylphenyl)ethyl]-1-[2-(trifluoromethyl)phenyl]sulfonyl-piperidine-4-carboxamide Openeye Name: N-[1-(4-methylsulfanylphenyl)ethyl]-1-[2-(trifluoromethyl)phenyl]sulfonyl-piperidine-4-carboxamide CAS Name: N-[1-[4-(methylthio)phenyl]ethyl]-1-[2-(trifluoromethyl)phenyl]sulfonyl-4-piperidinecarboxamide IUPAC Name: N-[1-(4-methylsulfanylphenyl)ethyl]-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide Traditional Name: N-[1-[4-(methylthio)phenyl]ethyl]-1-[2-(trifluoromethyl)phenyl]sulfonyl-isonipecotamide Formula: C22H25F3N2O3S2 MolecularWeight: 486.57071

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)SC)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C(F)(F)F

Isomeric SMILES

CC(C1=CC=C(C=C1)SC)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C(F)(F)F

InChI

InChI=1S/C22H25F3N2O3S2/c1-15(16-7-9-18(31-2)10-8-16)26-21(28)17-11-13-27(14-12-17)32(29,30)20-6-4-3-5-19(20)22(23,24)25/h3-10,15,17H,11-14H2,1-2H3,(H,26,28)