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

Systemtic Name: N-[2-[bis(fluoranyl)methylsulfanyl]phenyl]-1-(4-methylphenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-[2-(difluoromethylsulfanyl)phenyl]-1-(p-tolylsulfonyl)piperidine-4-carboxamide CAS Name: N-[2-(difluoromethylthio)phenyl]-1-(4-methylphenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-[2-(difluoromethylsulfanyl)phenyl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-[2-(difluoromethylthio)phenyl]-1-tosyl-isonipecotamide Formula: C20H22F2N2O3S2 MolecularWeight: 440.527086

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC3=CC=CC=C3SC(F)F

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC3=CC=CC=C3SC(F)F

InChI

InChI=1S/C20H22F2N2O3S2/c1-14-6-8-16(9-7-14)29(26,27)24-12-10-15(11-13-24)19(25)23-17-4-2-3-5-18(17)28-20(21)22/h2-9,15,20H,10-13H2,1H3,(H,23,25)