3-[[4-[2-(2-fluorophenyl)sulfanylethanoylamino]phenyl]sulfonylamino]propanoic acid

Systemtic Name: 3-[[4-[2-(2-fluorophenyl)sulfanylethanoylamino]phenyl]sulfonylamino]propanoic acid Openeye Name: 3-[[4-[[2-(2-fluorophenyl)sulfanylacetyl]amino]phenyl]sulfonylamino]propanoic acid CAS Name: 3-[[4-[[2-[(2-fluorophenyl)thio]-1-oxoethyl]amino]phenyl]sulfonylamino]propanoic acid IUPAC Name: 3-[[4-[[2-(2-fluorophenyl)sulfanylacetyl]amino]phenyl]sulfonylamino]propanoic acid Traditional Name: 3-[[4-[[2-[(2-fluorophenyl)thio]acetyl]amino]phenyl]sulfonylamino]propionic acid Formula: C17H17FN2O5S2 MolecularWeight: 412.455683

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17FN2O5S2/c18-14-3-1-2-4-15(14)26-11-16(21)20-12-5-7-13(8-6-12)27(24,25)19-10-9-17(22)23/h1-8,19H,9-11H2,(H,20,21)(H,22,23)