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

Systemtic Name: 4-methanoyl-N-methyl-N-[2-(4-phenylpiperidin-1-yl)pyrimidin-4-yl]benzamide; 4-methylbenzenesulfonic acid Openeye Name: 4-formyl-N-methyl-N-[2-(4-phenyl-1-piperidyl)pyrimidin-4-yl]benzamide; 4-methylbenzenesulfonic acid CAS Name: 4-formyl-N-methyl-N-[2-(4-phenyl-1-piperidinyl)-4-pyrimidinyl]benzamide; 4-methylbenzenesulfonic acid IUPAC Name: 4-formyl-N-methyl-N-[2-(4-phenylpiperidin-1-yl)pyrimidin-4-yl]benzamide; 4-methylbenzenesulfonic acid Traditional Name: 4-formyl-N-methyl-N-[2-(4-phenylpiperidino)pyrimidin-4-yl]benzamide; tosylic acid Formula: C31H32N4O5S MolecularWeight: 572.67458

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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)C4=CC=C(C=C4)C=O

Isomeric SMILES

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

InChI

InChI=1S/C24H24N4O2.C7H8O3S/c1-27(23(30)21-9-7-18(17-29)8-10-21)22-11-14-25-24(26-22)28-15-12-20(13-16-28)19-5-3-2-4-6-19;1-6-2-4-7(5-3-6)11(8,9)10/h2-11,14,17,20H,12-13,15-16H2,1H3;2-5H,1H3,(H,8,9,10)