2-[(5-chloranyl-3-oxidanyl-1H-indol-2-yl)sulfonyl]-4-(5-pyridin-4-ylpyrimidin-2-yl)piperazine-1-carboxylic acid

Systemtic Name: 2-[(5-chloranyl-3-oxidanyl-1H-indol-2-yl)sulfonyl]-4-(5-pyridin-4-ylpyrimidin-2-yl)piperazine-1-carboxylic acid Openeye Name: 2-[(5-chloro-3-hydroxy-1H-indol-2-yl)sulfonyl]-4-[5-(4-pyridyl)pyrimidin-2-yl]piperazine-1-carboxylic acid CAS Name: 2-[(5-chloro-3-hydroxy-1H-indol-2-yl)sulfonyl]-4-(5-pyridin-4-yl-2-pyrimidinyl)-1-piperazinecarboxylic acid IUPAC Name: 2-[(5-chloro-3-hydroxy-1H-indol-2-yl)sulfonyl]-4-(5-pyridin-4-ylpyrimidin-2-yl)piperazine-1-carboxylic acid Traditional Name: 2-[(5-chloro-3-hydroxy-1H-indol-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)C4=C(C5=C(N4)C=CC(=C5)Cl)O)C(=O)O

Isomeric SMILES

C1CN(C(CN1C2=NC=C(C=N2)C3=CC=NC=C3)S(=O)(=O)C4=C(C5=C(N4)C=CC(=C5)Cl)O)C(=O)O

InChI

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