3-[4-[[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]sulfamoyl]phenyl]propanoic acid

Systemtic Name: 3-[4-[[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]sulfamoyl]phenyl]propanoic acid Openeye Name: 3-[4-[[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]sulfamoyl]phenyl]propanoic acid CAS Name: 3-[4-[[2-(1-pyrazolyl)-5-(trifluoromethyl)phenyl]sulfamoyl]phenyl]propanoic acid IUPAC Name: 3-[4-[[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]sulfamoyl]phenyl]propanoic acid Traditional Name: 3-[4-[[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]sulfamoyl]phenyl]propionic acid Formula: C19H16F3N3O4S MolecularWeight: 439.40825

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN(N=C1)C2=C(C=C(C=C2)C(F)(F)F)NS(=O)(=O)C3=CC=C(C=C3)CCC(=O)O

Isomeric SMILES

C1=CN(N=C1)C2=C(C=C(C=C2)C(F)(F)F)NS(=O)(=O)C3=CC=C(C=C3)CCC(=O)O

InChI

InChI=1S/C19H16F3N3O4S/c20-19(21,22)14-5-8-17(25-11-1-10-23-25)16(12-14)24-30(28,29)15-6-2-13(3-7-15)4-9-18(26)27/h1-3,5-8,10-12,24H,4,9H2,(H,26,27)