4-methylbenzenesulfonic acid; N-methyl-N-[2-(4-phenylpiperidin-1-yl)pyrimidin-4-yl]-4-(trifluoromethyl)benzamide

Systemtic Name: 4-methylbenzenesulfonic acid; N-methyl-N-[2-(4-phenylpiperidin-1-yl)pyrimidin-4-yl]-4-(trifluoromethyl)benzamide Openeye Name: 4-methylbenzenesulfonic acid; N-methyl-N-[2-(4-phenyl-1-piperidyl)pyrimidin-4-yl]-4-(trifluoromethyl)benzamide CAS Name: 4-methylbenzenesulfonic acid; N-methyl-N-[2-(4-phenyl-1-piperidinyl)-4-pyrimidinyl]-4-(trifluoromethyl)benzamide IUPAC Name: 4-methylbenzenesulfonic acid; N-methyl-N-[2-(4-phenylpiperidin-1-yl)pyrimidin-4-yl]-4-(trifluoromethyl)benzamide Traditional Name: N-methyl-N-[2-(4-phenylpiperidino)pyrimidin-4-yl]-4-(trifluoromethyl)benzamide; tosylic acid Formula: C31H31F3N4O4S MolecularWeight: 612.66245

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)O.CN(C1=NC(=NC=C1)N2CCC(CC2)C3=CC=CC=C3)C(=O)C4=CC=C(C=C4)C(F)(F)F

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.CN(C1=NC(=NC=C1)N2CCC(CC2)C3=CC=CC=C3)C(=O)C4=CC=C(C=C4)C(F)(F)F

InChI

InChI=1S/C24H23F3N4O.C7H8O3S/c1-30(22(32)19-7-9-20(10-8-19)24(25,26)27)21-11-14-28-23(29-21)31-15-12-18(13-16-31)17-5-3-2-4-6-17;1-6-2-4-7(5-3-6)11(8,9)10/h2-11,14,18H,12-13,15-16H2,1H3;2-5H,1H3,(H,8,9,10)