2-(5-chloranyl-1-methanoyl-indol-2-yl)sulfonyl-4-(5-pyridin-4-ylpyrimidin-2-yl)piperazine-1-carboxylic acid

Systemtic Name: 2-(5-chloranyl-1-methanoyl-indol-2-yl)sulfonyl-4-(5-pyridin-4-ylpyrimidin-2-yl)piperazine-1-carboxylic acid Openeye Name: 2-(5-chloro-1-formyl-indol-2-yl)sulfonyl-4-[5-(4-pyridyl)pyrimidin-2-yl]piperazine-1-carboxylic acid CAS Name: 2-[(5-chloro-1-formyl-2-indolyl)sulfonyl]-4-(5-pyridin-4-yl-2-pyrimidinyl)-1-piperazinecarboxylic acid IUPAC Name: 2-(5-chloro-1-formylindol-2-yl)sulfonyl-4-(5-pyridin-4-ylpyrimidin-2-yl)piperazine-1-carboxylic acid Traditional Name: 2-(5-chloro-1-formyl-indol-2-yl)sulfonyl-4-[5-(4-pyridyl)pyrimidin-2-yl]piperazine-1-carboxylic acid Formula: C23H19ClN6O5S MolecularWeight: 526.95216

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(CN1C2=NC=C(C=N2)C3=CC=NC=C3)S(=O)(=O)C4=CC5=C(N4C=O)C=CC(=C5)Cl)C(=O)O

Isomeric SMILES

C1CN(C(CN1C2=NC=C(C=N2)C3=CC=NC=C3)S(=O)(=O)C4=CC5=C(N4C=O)C=CC(=C5)Cl)C(=O)O

InChI

InChI=1S/C23H19ClN6O5S/c24-18-1-2-19-16(9-18)10-20(30(19)14-31)36(34,35)21-13-28(7-8-29(21)23(32)33)22-26-11-17(12-27-22)15-3-5-25-6-4-15/h1-6,9-12,14,21H,7-8,13H2,(H,32,33)