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

Systemtic Name: 2-[[5-chloranyl-3-(hydroxymethyl)-1H-indol-2-yl]sulfonyl]-4-(5-pyridin-4-ylpyrimidin-2-yl)piperazine-1-carboxylic acid Openeye Name: 2-[[5-chloro-3-(hydroxymethyl)-1H-indol-2-yl]sulfonyl]-4-[5-(4-pyridyl)pyrimidin-2-yl]piperazine-1-carboxylic acid CAS Name: 2-[[5-chloro-3-(hydroxymethyl)-1H-indol-2-yl]sulfonyl]-4-(5-pyridin-4-yl-2-pyrimidinyl)-1-piperazinecarboxylic acid IUPAC Name: 2-[[5-chloro-3-(hydroxymethyl)-1H-indol-2-yl]sulfonyl]-4-(5-pyridin-4-ylpyrimidin-2-yl)piperazine-1-carboxylic acid Traditional Name: 2-[(5-chloro-3-methylol-1H-indol-2-yl)sulfonyl]-4-[5-(4-pyridyl)pyrimidin-2-yl]piperazine-1-carboxylic acid Formula: C23H21ClN6O5S MolecularWeight: 528.96804

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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)CO)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)CO)C(=O)O

InChI

InChI=1S/C23H21ClN6O5S/c24-16-1-2-19-17(9-16)18(13-31)21(28-19)36(34,35)20-12-29(7-8-30(20)23(32)33)22-26-10-15(11-27-22)14-3-5-25-6-4-14/h1-6,9-11,20,28,31H,7-8,12-13H2,(H,32,33)