3-[(2-fluoranyl-5-methylsulfonyl-phenyl)sulfonylamino]propanoic acid

Systemtic Name: 3-[(2-fluoranyl-5-methylsulfonyl-phenyl)sulfonylamino]propanoic acid Openeye Name: 3-[(2-fluoro-5-methylsulfonyl-phenyl)sulfonylamino]propanoic acid CAS Name: 3-[(2-fluoro-5-methylsulfonylphenyl)sulfonylamino]propanoic acid IUPAC Name: 3-[(2-fluoro-5-methylsulfonylphenyl)sulfonylamino]propanoic acid Traditional Name: 3-[(2-fluoro-5-mesyl-phenyl)sulfonylamino]propionic acid Formula: C10H12FNO6S2 MolecularWeight: 325.333783

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=C(C=C1)F)S(=O)(=O)NCCC(=O)O

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1)F)S(=O)(=O)NCCC(=O)O

InChI

InChI=1S/C10H12FNO6S2/c1-19(15,16)7-2-3-8(11)9(6-7)20(17,18)12-5-4-10(13)14/h2-3,6,12H,4-5H2,1H3,(H,13,14)