1-(4-methylphenyl)sulfonyl-N-[[3-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide

Systemtic Name: 1-(4-methylphenyl)sulfonyl-N-[[3-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide Openeye Name: 1-(p-tolylsulfonyl)-N-[[3-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide CAS Name: 1-(4-methylphenyl)sulfonyl-N-[[3-(trifluoromethyl)phenyl]methyl]-4-piperidinecarboxamide IUPAC Name: 1-(4-methylphenyl)sulfonyl-N-[[3-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide Traditional Name: 1-tosyl-N-[3-(trifluoromethyl)benzyl]isonipecotamide Formula: C21H23F3N2O3S MolecularWeight: 440.47913

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NCC3=CC(=CC=C3)C(F)(F)F

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NCC3=CC(=CC=C3)C(F)(F)F

InChI

InChI=1S/C21H23F3N2O3S/c1-15-5-7-19(8-6-15)30(28,29)26-11-9-17(10-12-26)20(27)25-14-16-3-2-4-18(13-16)21(22,23)24/h2-8,13,17H,9-12,14H2,1H3,(H,25,27)