(5-pyridin-4-ylpyrimidin-2-yl) 4-[(5-chloranyl-1,3-dihydroisoindol-2-yl)sulfonyl]piperazine-1-carboxylate

Systemtic Name: (5-pyridin-4-ylpyrimidin-2-yl) 4-[(5-chloranyl-1,3-dihydroisoindol-2-yl)sulfonyl]piperazine-1-carboxylate Openeye Name: [5-(4-pyridyl)pyrimidin-2-yl] 4-(5-chloroisoindolin-2-yl)sulfonylpiperazine-1-carboxylate CAS Name: 4-[(5-chloro-1,3-dihydroisoindol-2-yl)sulfonyl]-1-piperazinecarboxylic acid (5-pyridin-4-yl-2-pyrimidinyl) ester IUPAC Name: (5-pyridin-4-ylpyrimidin-2-yl) 4-[(5-chloro-1,3-dihydroisoindol-2-yl)sulfonyl]piperazine-1-carboxylate Traditional Name: 4-(5-chloroisoindolin-2-yl)sulfonylpiperazine-1-carboxylic acid [5-(4-pyridyl)pyrimidin-2-yl] ester Formula: C22H21ClN6O4S MolecularWeight: 500.95794

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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)C=C(C=C5)Cl

Isomeric SMILES

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

InChI

InChI=1S/C22H21ClN6O4S/c23-20-2-1-17-14-29(15-18(17)11-20)34(31,32)28-9-7-27(8-10-28)22(30)33-21-25-12-19(13-26-21)16-3-5-24-6-4-16/h1-6,11-13H,7-10,14-15H2