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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC(=O)CSC2=CC=C(C=C2)F)S(=O)(=O)NCCC(=O)O

Isomeric SMILES

C1=CC(=CC=C1NC(=O)CSC2=CC=C(C=C2)F)S(=O)(=O)NCCC(=O)O

InChI

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