3-[1-[[4-(trifluoromethylsulfonyl)phenyl]carbamoyl]pyrazol-3-yl]propanoic acid

Systemtic Name: 3-[1-[[4-(trifluoromethylsulfonyl)phenyl]carbamoyl]pyrazol-3-yl]propanoic acid Openeye Name: 3-[1-[[4-(trifluoromethylsulfonyl)phenyl]carbamoyl]pyrazol-3-yl]propanoic acid CAS Name: 3-[1-[oxo-[4-(trifluoromethylsulfonyl)anilino]methyl]-3-pyrazolyl]propanoic acid IUPAC Name: 3-[1-[[4-(trifluoromethylsulfonyl)phenyl]carbamoyl]pyrazol-3-yl]propanoic acid Traditional Name: 3-[1-[(4-triflylphenyl)carbamoyl]pyrazol-3-yl]propionic acid Formula: C14H12F3N3O5S MolecularWeight: 391.32239

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC(=O)N2C=CC(=N2)CCC(=O)O)S(=O)(=O)C(F)(F)F

Isomeric SMILES

C1=CC(=CC=C1NC(=O)N2C=CC(=N2)CCC(=O)O)S(=O)(=O)C(F)(F)F

InChI

InChI=1S/C14H12F3N3O5S/c15-14(16,17)26(24,25)11-4-1-9(2-5-11)18-13(23)20-8-7-10(19-20)3-6-12(21)22/h1-2,4-5,7-8H,3,6H2,(H,18,23)(H,21,22)