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

Systemtic Name: 4-ethanoyl-N-methyl-N-[2-(4-phenylpiperidin-1-yl)pyrimidin-4-yl]benzamide; 4-methylbenzenesulfonic acid Openeye Name: 4-acetyl-N-methyl-N-[2-(4-phenyl-1-piperidyl)pyrimidin-4-yl]benzamide; 4-methylbenzenesulfonic acid CAS Name: 4-acetyl-N-methyl-N-[2-(4-phenyl-1-piperidinyl)-4-pyrimidinyl]benzamide; 4-methylbenzenesulfonic acid IUPAC Name: 4-acetyl-N-methyl-N-[2-(4-phenylpiperidin-1-yl)pyrimidin-4-yl]benzamide; 4-methylbenzenesulfonic acid Traditional Name: 4-acetyl-N-methyl-N-[2-(4-phenylpiperidino)pyrimidin-4-yl]benzamide; tosylic acid Formula: C32H34N4O5S MolecularWeight: 586.70116

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H26N4O2.C7H8O3S/c1-18(30)19-8-10-22(11-9-19)24(31)28(2)23-12-15-26-25(27-23)29-16-13-21(14-17-29)20-6-4-3-5-7-20;1-6-2-4-7(5-3-6)11(8,9)10/h3-12,15,21H,13-14,16-17H2,1-2H3;2-5H,1H3,(H,8,9,10)