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

Systemtic Name: 4-methylbenzenesulfonic acid; 1-(2-piperidin-1-ylpyrimidin-4-yl)pyrrolidin-2-one Openeye Name: 4-methylbenzenesulfonic acid; 1-[2-(1-piperidyl)pyrimidin-4-yl]pyrrolidin-2-one CAS Name: 4-methylbenzenesulfonic acid; 1-[2-(1-piperidinyl)-4-pyrimidinyl]-2-pyrrolidinone IUPAC Name: 4-methylbenzenesulfonic acid; 1-(2-piperidin-1-ylpyrimidin-4-yl)pyrrolidin-2-one Traditional Name: 1-(2-piperidinopyrimidin-4-yl)-2-pyrrolidone; tosylic acid Formula: C20H26N4O4S MolecularWeight: 418.50984

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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)N3CCCC3=O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.C1CCN(CC1)C2=NC=CC(=N2)N3CCCC3=O

InChI

InChI=1S/C13H18N4O.C7H8O3S/c18-12-5-4-10-17(12)11-6-7-14-13(15-11)16-8-2-1-3-9-16;1-6-2-4-7(5-3-6)11(8,9)10/h6-7H,1-5,8-10H2;2-5H,1H3,(H,8,9,10)