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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(CN1C2=NC=C(C=N2)C3=CC=NC=C3)S(=O)(=O)N4CC5=C(C4)C=C(C=C5)Cl)C(=O)O

Isomeric SMILES

C1CN(C(CN1C2=NC=C(C=N2)C3=CC=NC=C3)S(=O)(=O)N4CC5=C(C4)C=C(C=C5)Cl)C(=O)O

InChI

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