4-methylbenzenesulfonic acid; N-methyl-N-phenyl-2-(4-phenylpiperidin-1-yl)pyrimidin-4-amine

Systemtic Name: 4-methylbenzenesulfonic acid; N-methyl-N-phenyl-2-(4-phenylpiperidin-1-yl)pyrimidin-4-amine Openeye Name: 4-methylbenzenesulfonic acid; N-methyl-N-phenyl-2-(4-phenyl-1-piperidyl)pyrimidin-4-amine CAS Name: 4-methylbenzenesulfonic acid; N-methyl-N-phenyl-2-(4-phenyl-1-piperidinyl)-4-pyrimidinamine IUPAC Name: 4-methylbenzenesulfonic acid; N-methyl-N-phenyl-2-(4-phenylpiperidin-1-yl)pyrimidin-4-amine Traditional Name: methyl-phenyl-[2-(4-phenylpiperidino)pyrimidin-4-yl]amine; tosylic acid Formula: C29H32N4O3S MolecularWeight: 516.65438

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)O.CN(C1=CC=CC=C1)C2=NC(=NC=C2)N3CCC(CC3)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.CN(C1=CC=CC=C1)C2=NC(=NC=C2)N3CCC(CC3)C4=CC=CC=C4

InChI

InChI=1S/C22H24N4.C7H8O3S/c1-25(20-10-6-3-7-11-20)21-12-15-23-22(24-21)26-16-13-19(14-17-26)18-8-4-2-5-9-18;1-6-2-4-7(5-3-6)11(8,9)10/h2-12,15,19H,13-14,16-17H2,1H3;2-5H,1H3,(H,8,9,10)