(5-pyridin-4-ylpyrimidin-2-yl) 4-[(6-chloranyl-3-oxidanylidene-1H-isoindol-2-yl)sulfonyl]piperazine-1-carboxylate

Systemtic Name: (5-pyridin-4-ylpyrimidin-2-yl) 4-[(6-chloranyl-3-oxidanylidene-1H-isoindol-2-yl)sulfonyl]piperazine-1-carboxylate Openeye Name: [5-(4-pyridyl)pyrimidin-2-yl] 4-(5-chloro-1-oxo-isoindolin-2-yl)sulfonylpiperazine-1-carboxylate CAS Name: 4-[(6-chloro-3-oxo-1H-isoindol-2-yl)sulfonyl]-1-piperazinecarboxylic acid (5-pyridin-4-yl-2-pyrimidinyl) ester IUPAC Name: (5-pyridin-4-ylpyrimidin-2-yl) 4-[(6-chloro-3-oxo-1H-isoindol-2-yl)sulfonyl]piperazine-1-carboxylate Traditional Name: 4-(5-chloro-1-keto-isoindolin-2-yl)sulfonylpiperazine-1-carboxylic acid [5-(4-pyridyl)pyrimidin-2-yl] ester Formula: C22H19ClN6O5S MolecularWeight: 514.94146

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)OC2=NC=C(C=N2)C3=CC=NC=C3)S(=O)(=O)N4CC5=C(C4=O)C=CC(=C5)Cl

Isomeric SMILES

C1CN(CCN1C(=O)OC2=NC=C(C=N2)C3=CC=NC=C3)S(=O)(=O)N4CC5=C(C4=O)C=CC(=C5)Cl

InChI

InChI=1S/C22H19ClN6O5S/c23-18-1-2-19-16(11-18)14-29(20(19)30)35(32,33)28-9-7-27(8-10-28)22(31)34-21-25-12-17(13-26-21)15-3-5-24-6-4-15/h1-6,11-13H,7-10,14H2