ethyl 4-[[3-(2-chloranyl-5-piperidin-1-ylsulfonyl-phenyl)carbonyloxyphenyl]amino]-2-methylsulfanyl-pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-[[3-(2-chloranyl-5-piperidin-1-ylsulfonyl-phenyl)carbonyloxyphenyl]amino]-2-methylsulfanyl-pyrimidine-5-carboxylate Openeye Name: ethyl 4-[3-[2-chloro-5-(1-piperidylsulfonyl)benzoyl]oxyanilino]-2-methylsulfanyl-pyrimidine-5-carboxylate CAS Name: 4-[3-[[2-chloro-5-(1-piperidinylsulfonyl)phenyl]-oxomethoxy]anilino]-2-(methylthio)-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[3-(2-chloro-5-piperidin-1-ylsulfonylbenzoyl)oxyanilino]-2-methylsulfanylpyrimidine-5-carboxylate Traditional Name: 4-[3-(2-chloro-5-piperidinosulfonyl-benzoyl)oxyanilino]-2-(methylthio)pyrimidine-5-carboxylic acid ethyl ester Formula: C26H27ClN4O6S2 MolecularWeight: 591.09878

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N=C1NC2=CC(=CC=C2)OC(=O)C3=C(C=CC(=C3)S(=O)(=O)N4CCCCC4)Cl)SC

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1NC2=CC(=CC=C2)OC(=O)C3=C(C=CC(=C3)S(=O)(=O)N4CCCCC4)Cl)SC

InChI

InChI=1S/C26H27ClN4O6S2/c1-3-36-24(32)21-16-28-26(38-2)30-23(21)29-17-8-7-9-18(14-17)37-25(33)20-15-19(10-11-22(20)27)39(34,35)31-12-5-4-6-13-31/h7-11,14-16H,3-6,12-13H2,1-2H3,(H,28,29,30)