4-sulfanyl-1-[2,4,5-tris(fluoranyl)phenyl]sulfonyl-pyrrolidine-2-carboxylic acid

Systemtic Name: 4-sulfanyl-1-[2,4,5-tris(fluoranyl)phenyl]sulfonyl-pyrrolidine-2-carboxylic acid Openeye Name: 4-sulfanyl-1-(2,4,5-trifluorophenyl)sulfonyl-pyrrolidine-2-carboxylic acid CAS Name: 4-mercapto-1-(2,4,5-trifluorophenyl)sulfonyl-2-pyrrolidinecarboxylic acid IUPAC Name: 4-sulfanyl-1-(2,4,5-trifluorophenyl)sulfonylpyrrolidine-2-carboxylic acid Traditional Name: 4-mercapto-1-(2,4,5-trifluorophenyl)sulfonyl-proline Formula: C11H10F3NO4S2 MolecularWeight: 341.32661

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(CN(C1C(=O)O)S(=O)(=O)C2=C(C=C(C(=C2)F)F)F)S

Isomeric SMILES

C1C(CN(C1C(=O)O)S(=O)(=O)C2=C(C=C(C(=C2)F)F)F)S

InChI

InChI=1S/C11H10F3NO4S2/c12-6-2-8(14)10(3-7(6)13)21(18,19)15-4-5(20)1-9(15)11(16)17/h2-3,5,9,20H,1,4H2,(H,16,17)