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

Systemtic Name: 3-[(2-fluoranyl-5-methylsulfonyl-phenyl)sulfonylamino]butanoic acid Openeye Name: 3-[(2-fluoro-5-methylsulfonyl-phenyl)sulfonylamino]butanoic acid CAS Name: 3-[(2-fluoro-5-methylsulfonylphenyl)sulfonylamino]butanoic acid IUPAC Name: 3-[(2-fluoro-5-methylsulfonylphenyl)sulfonylamino]butanoic acid Traditional Name: 3-[(2-fluoro-5-mesyl-phenyl)sulfonylamino]butyric acid Formula: C11H14FNO6S2 MolecularWeight: 339.360363

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)O)NS(=O)(=O)C1=C(C=CC(=C1)S(=O)(=O)C)F

Isomeric SMILES

CC(CC(=O)O)NS(=O)(=O)C1=C(C=CC(=C1)S(=O)(=O)C)F

InChI

InChI=1S/C11H14FNO6S2/c1-7(5-11(14)15)13-21(18,19)10-6-8(20(2,16)17)3-4-9(10)12/h3-4,6-7,13H,5H2,1-2H3,(H,14,15)