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

Systemtic Name: [5-(2-methylpyridin-4-yl)pyrimidin-2-yl] 4-[(5-chloranyl-1,3-dihydroisoindol-2-yl)sulfonyl]piperazine-1-carboxylate Openeye Name: [5-(2-methyl-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-(2-methyl-4-pyridinyl)-2-pyrimidinyl] ester IUPAC Name: [5-(2-methylpyridin-4-yl)pyrimidin-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-(2-methyl-4-pyridyl)pyrimidin-2-yl] ester Formula: C23H23ClN6O4S MolecularWeight: 514.98452

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=CC(=C1)C2=CN=C(N=C2)OC(=O)N3CCN(CC3)S(=O)(=O)N4CC5=C(C4)C=C(C=C5)Cl

Isomeric SMILES

CC1=NC=CC(=C1)C2=CN=C(N=C2)OC(=O)N3CCN(CC3)S(=O)(=O)N4CC5=C(C4)C=C(C=C5)Cl

InChI

InChI=1S/C23H23ClN6O4S/c1-16-10-17(4-5-25-16)20-12-26-22(27-13-20)34-23(31)28-6-8-29(9-7-28)35(32,33)30-14-18-2-3-21(24)11-19(18)15-30/h2-5,10-13H,6-9,14-15H2,1H3