3-[[2-[[4-fluoranyl-2-(trifluoromethyl)phenyl]sulfamoyl]phenyl]carbonylamino]propanoic acid

Systemtic Name: 3-[[2-[[4-fluoranyl-2-(trifluoromethyl)phenyl]sulfamoyl]phenyl]carbonylamino]propanoic acid Openeye Name: 3-[[2-[[4-fluoro-2-(trifluoromethyl)phenyl]sulfamoyl]benzoyl]amino]propanoic acid CAS Name: 3-[[[2-[[4-fluoro-2-(trifluoromethyl)phenyl]sulfamoyl]phenyl]-oxomethyl]amino]propanoic acid IUPAC Name: 3-[[2-[[4-fluoro-2-(trifluoromethyl)phenyl]sulfamoyl]benzoyl]amino]propanoic acid Traditional Name: 3-[[2-[[4-fluoro-2-(trifluoromethyl)phenyl]sulfamoyl]benzoyl]amino]propionic acid Formula: C17H14F4N2O5S MolecularWeight: 434.362073

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)NCCC(=O)O)S(=O)(=O)NC2=C(C=C(C=C2)F)C(F)(F)F

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)NCCC(=O)O)S(=O)(=O)NC2=C(C=C(C=C2)F)C(F)(F)F

InChI

InChI=1S/C17H14F4N2O5S/c18-10-5-6-13(12(9-10)17(19,20)21)23-29(27,28)14-4-2-1-3-11(14)16(26)22-8-7-15(24)25/h1-6,9,23H,7-8H2,(H,22,26)(H,24,25)