4-methylbenzenesulfonic acid; 1-[2-(4-phenylpiperidin-1-yl)pyrimidin-4-yl]piperidin-2-one

Systemtic Name: 4-methylbenzenesulfonic acid; 1-[2-(4-phenylpiperidin-1-yl)pyrimidin-4-yl]piperidin-2-one Openeye Name: 4-methylbenzenesulfonic acid; 1-[2-(4-phenyl-1-piperidyl)pyrimidin-4-yl]piperidin-2-one CAS Name: 4-methylbenzenesulfonic acid; 1-[2-(4-phenyl-1-piperidinyl)-4-pyrimidinyl]-2-piperidinone IUPAC Name: 4-methylbenzenesulfonic acid; 1-[2-(4-phenylpiperidin-1-yl)pyrimidin-4-yl]piperidin-2-one Traditional Name: 1-[2-(4-phenylpiperidino)pyrimidin-4-yl]-2-piperidone; tosylic acid Formula: C27H32N4O4S MolecularWeight: 508.63238

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)O.C1CCN(C(=O)C1)C2=NC(=NC=C2)N3CCC(CC3)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.C1CCN(C(=O)C1)C2=NC(=NC=C2)N3CCC(CC3)C4=CC=CC=C4

InChI

InChI=1S/C20H24N4O.C7H8O3S/c25-19-8-4-5-13-24(19)18-9-12-21-20(22-18)23-14-10-17(11-15-23)16-6-2-1-3-7-16;1-6-2-4-7(5-3-6)11(8,9)10/h1-3,6-7,9,12,17H,4-5,8,10-11,13-15H2;2-5H,1H3,(H,8,9,10)