N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-3,5-bis(trifluoromethyl)benzamide

Systemtic Name: N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-3,5-bis(trifluoromethyl)benzamide Openeye Name: N-[1-(p-tolylsulfonyl)-4-piperidyl]-3,5-bis(trifluoromethyl)benzamide CAS Name: N-[1-(4-methylphenyl)sulfonyl-4-piperidinyl]-3,5-bis(trifluoromethyl)benzamide IUPAC Name: N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-3,5-bis(trifluoromethyl)benzamide Traditional Name: N-(1-tosyl-4-piperidyl)-3,5-bis(trifluoromethyl)benzamide 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)NC(=O)C3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)NC(=O)C3=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)29-8-6-17(7-9-29)28-19(30)14-10-15(20(22,23)24)12-16(11-14)21(25,26)27/h2-5,10-12,17H,6-9H2,1H3,(H,28,30)