N-[4-[bis(fluoranyl)methylsulfanyl]phenyl]-1-(2-methylphenyl)carbonyl-piperidine-4-carboxamide

Systemtic Name: N-[4-[bis(fluoranyl)methylsulfanyl]phenyl]-1-(2-methylphenyl)carbonyl-piperidine-4-carboxamide Openeye Name: N-[4-(difluoromethylsulfanyl)phenyl]-1-(2-methylbenzoyl)piperidine-4-carboxamide CAS Name: N-[4-(difluoromethylthio)phenyl]-1-[(2-methylphenyl)-oxomethyl]-4-piperidinecarboxamide IUPAC Name: N-[4-(difluoromethylsulfanyl)phenyl]-1-(2-methylbenzoyl)piperidine-4-carboxamide Traditional Name: N-[4-(difluoromethylthio)phenyl]-1-o-toluoyl-isonipecotamide Formula: C21H22F2N2O2S MolecularWeight: 404.473386

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)N2CCC(CC2)C(=O)NC3=CC=C(C=C3)SC(F)F

Isomeric SMILES

CC1=CC=CC=C1C(=O)N2CCC(CC2)C(=O)NC3=CC=C(C=C3)SC(F)F

InChI

InChI=1S/C21H22F2N2O2S/c1-14-4-2-3-5-18(14)20(27)25-12-10-15(11-13-25)19(26)24-16-6-8-17(9-7-16)28-21(22)23/h2-9,15,21H,10-13H2,1H3,(H,24,26)