methyl 1-(4-sulfamoylphenyl)-5-[4-(trifluoromethylsulfanyl)phenyl]pyrazole-3-carboxylate

Systemtic Name: methyl 1-(4-sulfamoylphenyl)-5-[4-(trifluoromethylsulfanyl)phenyl]pyrazole-3-carboxylate Openeye Name: methyl 1-(4-sulfamoylphenyl)-5-[4-(trifluoromethylsulfanyl)phenyl]pyrazole-3-carboxylate CAS Name: 1-(4-sulfamoylphenyl)-5-[4-(trifluoromethylthio)phenyl]-3-pyrazolecarboxylic acid methyl ester IUPAC Name: methyl 1-(4-sulfamoylphenyl)-5-[4-(trifluoromethylsulfanyl)phenyl]pyrazole-3-carboxylate Traditional Name: 1-(4-sulfamoylphenyl)-5-[4-(trifluoromethylthio)phenyl]pyrazole-3-carboxylic acid methyl ester Formula: C18H14F3N3O4S2 MolecularWeight: 457.44667

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=NN(C(=C1)C2=CC=C(C=C2)SC(F)(F)F)C3=CC=C(C=C3)S(=O)(=O)N

Isomeric SMILES

COC(=O)C1=NN(C(=C1)C2=CC=C(C=C2)SC(F)(F)F)C3=CC=C(C=C3)S(=O)(=O)N

InChI

InChI=1S/C18H14F3N3O4S2/c1-28-17(25)15-10-16(11-2-6-13(7-3-11)29-18(19,20)21)24(23-15)12-4-8-14(9-5-12)30(22,26)27/h2-10H,1H3,(H2,22,26,27)