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

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

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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=O)C=CC(=C5)Cl)C(=O)O

Isomeric SMILES

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

InChI

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