4-methylbenzenesulfonic acid; 1-(2-piperidin-1-ylpyrimidin-4-yl)piperidin-2-one

Systemtic Name: 4-methylbenzenesulfonic acid; 1-(2-piperidin-1-ylpyrimidin-4-yl)piperidin-2-one Openeye Name: 4-methylbenzenesulfonic acid; 1-[2-(1-piperidyl)pyrimidin-4-yl]piperidin-2-one CAS Name: 4-methylbenzenesulfonic acid; 1-[2-(1-piperidinyl)-4-pyrimidinyl]-2-piperidinone IUPAC Name: 4-methylbenzenesulfonic acid; 1-(2-piperidin-1-ylpyrimidin-4-yl)piperidin-2-one Traditional Name: 1-(2-piperidinopyrimidin-4-yl)-2-piperidone; tosylic acid Formula: C21H28N4O4S MolecularWeight: 432.53642

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)O.C1CCN(CC1)C2=NC=CC(=N2)N3CCCCC3=O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.C1CCN(CC1)C2=NC=CC(=N2)N3CCCCC3=O

InChI

InChI=1S/C14H20N4O.C7H8O3S/c19-13-6-2-5-11-18(13)12-7-8-15-14(16-12)17-9-3-1-4-10-17;1-6-2-4-7(5-3-6)11(8,9)10/h7-8H,1-6,9-11H2;2-5H,1H3,(H,8,9,10)