2-methyl-5-[[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]sulfamoyl]benzoic acid

Systemtic Name: 2-methyl-5-[[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]sulfamoyl]benzoic acid Openeye Name: 2-methyl-5-[[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]sulfamoyl]benzoic acid CAS Name: 2-methyl-5-[[2-(1-pyrazolyl)-5-(trifluoromethyl)phenyl]sulfamoyl]benzoic acid IUPAC Name: 2-methyl-5-[[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]sulfamoyl]benzoic acid Traditional Name: 2-methyl-5-[[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]sulfamoyl]benzoic acid Formula: C18H14F3N3O4S MolecularWeight: 425.38167

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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