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

Systemtic Name: 4-methylbenzenesulfonic acid; N-methyl-N-[2-(4-phenylpiperidin-1-yl)pyrimidin-4-yl]adamantane-1-carboxamide Openeye Name: 4-methylbenzenesulfonic acid; N-methyl-N-[2-(4-phenyl-1-piperidyl)pyrimidin-4-yl]adamantane-1-carboxamide CAS Name: 4-methylbenzenesulfonic acid; N-methyl-N-[2-(4-phenyl-1-piperidinyl)-4-pyrimidinyl]-1-adamantanecarboxamide IUPAC Name: 4-methylbenzenesulfonic acid; N-methyl-N-[2-(4-phenylpiperidin-1-yl)pyrimidin-4-yl]adamantane-1-carboxamide Traditional Name: N-methyl-N-[2-(4-phenylpiperidino)pyrimidin-4-yl]adamantane-1-carboxamide; tosylic acid Formula: C34H42N4O4S MolecularWeight: 602.78668

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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)C45CC6CC(C4)CC(C6)C5

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.CN(C1=NC(=NC=C1)N2CCC(CC2)C3=CC=CC=C3)C(=O)C45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C27H34N4O.C7H8O3S/c1-30(25(32)27-16-19-13-20(17-27)15-21(14-19)18-27)24-7-10-28-26(29-24)31-11-8-23(9-12-31)22-5-3-2-4-6-22;1-6-2-4-7(5-3-6)11(8,9)10/h2-7,10,19-21,23H,8-9,11-18H2,1H3;2-5H,1H3,(H,8,9,10)