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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)OC2=NC=C(C=N2)C3=CC=NC=C3)S(=O)(=O)C4=C(C5=C(N4)C=CC(=C5)Cl)CO

Isomeric SMILES

C1CN(CCN1C(=O)OC2=NC=C(C=N2)C3=CC=NC=C3)S(=O)(=O)C4=C(C5=C(N4)C=CC(=C5)Cl)CO

InChI

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