methyl 4-cyano-3-[[4-pyridin-2-yl-3-(quinolin-2-ylmethylsulfanyl)-1H-pyrazol-5-yl]sulfamoyl]benzoate

Systemtic Name: methyl 4-cyano-3-[[4-pyridin-2-yl-3-(quinolin-2-ylmethylsulfanyl)-1H-pyrazol-5-yl]sulfamoyl]benzoate Openeye Name: methyl 4-cyano-3-[[4-(2-pyridyl)-3-(2-quinolylmethylsulfanyl)-1H-pyrazol-5-yl]sulfamoyl]benzoate CAS Name: 4-cyano-3-[[4-(2-pyridinyl)-3-(2-quinolinylmethylthio)-1H-pyrazol-5-yl]sulfamoyl]benzoic acid methyl ester IUPAC Name: methyl 4-cyano-3-[[4-pyridin-2-yl-3-(quinolin-2-ylmethylsulfanyl)-1H-pyrazol-5-yl]sulfamoyl]benzoate Traditional Name: 4-cyano-3-[[4-(2-pyridyl)-3-(2-quinolylmethylthio)-1H-pyrazol-5-yl]sulfamoyl]benzoic acid methyl ester Formula: C27H20N6O4S2 MolecularWeight: 556.6155

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)C#N)S(=O)(=O)NC2=C(C(=NN2)SCC3=NC4=CC=CC=C4C=C3)C5=CC=CC=N5

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)C#N)S(=O)(=O)NC2=C(C(=NN2)SCC3=NC4=CC=CC=C4C=C3)C5=CC=CC=N5

InChI

InChI=1S/C27H20N6O4S2/c1-37-27(34)18-9-10-19(15-28)23(14-18)39(35,36)33-25-24(22-8-4-5-13-29-22)26(32-31-25)38-16-20-12-11-17-6-2-3-7-21(17)30-20/h2-14H,16H2,1H3,(H2,31,32,33)