N-[3,5-bis(trifluoromethyl)phenyl]-1-(4-methylphenyl)sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-[3,5-bis(trifluoromethyl)phenyl]-1-(4-methylphenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-[3,5-bis(trifluoromethyl)phenyl]-1-(p-tolylsulfonyl)piperidine-4-carboxamide CAS Name: N-[3,5-bis(trifluoromethyl)phenyl]-1-(4-methylphenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-[3,5-bis(trifluoromethyl)phenyl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-[3,5-bis(trifluoromethyl)phenyl]-1-tosyl-isonipecotamide Formula: C21H20F6N2O3S MolecularWeight: 494.450519

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(=C3)C(F)(F)F)C(F)(F)F

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C21H20F6N2O3S/c1-13-2-4-18(5-3-13)33(31,32)29-8-6-14(7-9-29)19(30)28-17-11-15(20(22,23)24)10-16(12-17)21(25,26)27/h2-5,10-12,14H,6-9H2,1H3,(H,28,30)