[4-(4-methylsulfanylphenyl)-3-(4-sulfamoylphenyl)-5-(trifluoromethyl)pyrazol-1-yl] butanoate

Systemtic Name: [4-(4-methylsulfanylphenyl)-3-(4-sulfamoylphenyl)-5-(trifluoromethyl)pyrazol-1-yl] butanoate Openeye Name: [4-(4-methylsulfanylphenyl)-3-(4-sulfamoylphenyl)-5-(trifluoromethyl)pyrazol-1-yl] butanoate CAS Name: butanoic acid [4-[4-(methylthio)phenyl]-3-(4-sulfamoylphenyl)-5-(trifluoromethyl)-1-pyrazolyl] ester IUPAC Name: [4-(4-methylsulfanylphenyl)-3-(4-sulfamoylphenyl)-5-(trifluoromethyl)pyrazol-1-yl] butanoate Traditional Name: butyric acid [4-[4-(methylthio)phenyl]-3-(4-sulfamoylphenyl)-5-(trifluoromethyl)pyrazol-1-yl] ester Formula: C21H20F3N3O4S2 MolecularWeight: 499.52641

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)ON1C(=C(C(=N1)C2=CC=C(C=C2)S(=O)(=O)N)C3=CC=C(C=C3)SC)C(F)(F)F

Isomeric SMILES

CCCC(=O)ON1C(=C(C(=N1)C2=CC=C(C=C2)S(=O)(=O)N)C3=CC=C(C=C3)SC)C(F)(F)F

InChI

InChI=1S/C21H20F3N3O4S2/c1-3-4-17(28)31-27-20(21(22,23)24)18(13-5-9-15(32-2)10-6-13)19(26-27)14-7-11-16(12-8-14)33(25,29)30/h5-12H,3-4H2,1-2H3,(H2,25,29,30)