4-methyl-3-[[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]sulfamoyl]benzoate

Systemtic Name: 4-methyl-3-[[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]sulfamoyl]benzoate Openeye Name: 4-methyl-3-[[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]sulfamoyl]benzoate CAS Name: 4-methyl-3-[[2-(1-pyrazolyl)-5-(trifluoromethyl)phenyl]sulfamoyl]benzoate IUPAC Name: 4-methyl-3-[[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]sulfamoyl]benzoate Traditional Name: 4-methyl-3-[[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]sulfamoyl]benzoate Formula: C18H13F3N3O4S- MolecularWeight: 424.37373

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)[O-])S(=O)(=O)NC2=C(C=CC(=C2)C(F)(F)F)N3C=CC=N3

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)[O-])S(=O)(=O)NC2=C(C=CC(=C2)C(F)(F)F)N3C=CC=N3

InChI

InChI=1S/C18H14F3N3O4S/c1-11-3-4-12(17(25)26)9-16(11)29(27,28)23-14-10-13(18(19,20)21)5-6-15(14)24-8-2-7-22-24/h2-10,23H,1H3,(H,25,26)/p-1