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

Systemtic Name: 4-methylbenzenesulfonic acid; 1-[2-(4-phenylpiperidin-1-yl)pyrimidin-4-yl]pyrrolidin-2-one Openeye Name: 4-methylbenzenesulfonic acid; 1-[2-(4-phenyl-1-piperidyl)pyrimidin-4-yl]pyrrolidin-2-one CAS Name: 4-methylbenzenesulfonic acid; 1-[2-(4-phenyl-1-piperidinyl)-4-pyrimidinyl]-2-pyrrolidinone IUPAC Name: 4-methylbenzenesulfonic acid; 1-[2-(4-phenylpiperidin-1-yl)pyrimidin-4-yl]pyrrolidin-2-one Traditional Name: 1-[2-(4-phenylpiperidino)pyrimidin-4-yl]-2-pyrrolidone; tosylic acid Formula: C26H30N4O4S MolecularWeight: 494.6058

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)O.C1CC(=O)N(C1)C2=NC(=NC=C2)N3CCC(CC3)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.C1CC(=O)N(C1)C2=NC(=NC=C2)N3CCC(CC3)C4=CC=CC=C4

InChI

InChI=1S/C19H22N4O.C7H8O3S/c24-18-7-4-12-23(18)17-8-11-20-19(21-17)22-13-9-16(10-14-22)15-5-2-1-3-6-15;1-6-2-4-7(5-3-6)11(8,9)10/h1-3,5-6,8,11,16H,4,7,9-10,12-14H2;2-5H,1H3,(H,8,9,10)