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

Systemtic Name: 2-[(3-acetyloxy-5-chloranyl-1H-indol-2-yl)sulfonyl]-4-(5-pyridin-4-ylpyrimidin-2-yl)piperazine-1-carboxylic acid Openeye Name: 2-[(3-acetoxy-5-chloro-1H-indol-2-yl)sulfonyl]-4-[5-(4-pyridyl)pyrimidin-2-yl]piperazine-1-carboxylic acid CAS Name: 2-[(3-acetyloxy-5-chloro-1H-indol-2-yl)sulfonyl]-4-(5-pyridin-4-yl-2-pyrimidinyl)-1-piperazinecarboxylic acid IUPAC Name: 2-[(3-acetyloxy-5-chloro-1H-indol-2-yl)sulfonyl]-4-(5-pyridin-4-ylpyrimidin-2-yl)piperazine-1-carboxylic acid Traditional Name: 2-[(3-acetoxy-5-chloro-1H-indol-2-yl)sulfonyl]-4-[5-(4-pyridyl)pyrimidin-2-yl]piperazine-1-carboxylic acid Formula: C24H21ClN6O6S MolecularWeight: 556.97814

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=C(NC2=C1C=C(C=C2)Cl)S(=O)(=O)C3CN(CCN3C(=O)O)C4=NC=C(C=N4)C5=CC=NC=C5

Isomeric SMILES

CC(=O)OC1=C(NC2=C1C=C(C=C2)Cl)S(=O)(=O)C3CN(CCN3C(=O)O)C4=NC=C(C=N4)C5=CC=NC=C5

InChI

InChI=1S/C24H21ClN6O6S/c1-14(32)37-21-18-10-17(25)2-3-19(18)29-22(21)38(35,36)20-13-30(8-9-31(20)24(33)34)23-27-11-16(12-28-23)15-4-6-26-7-5-15/h2-7,10-12,20,29H,8-9,13H2,1H3,(H,33,34)