4-sulfanyl-1-[2-(trifluoromethyl)phenyl]sulfonyl-pyrrolidine-2-carboxylic acid

Systemtic Name: 4-sulfanyl-1-[2-(trifluoromethyl)phenyl]sulfonyl-pyrrolidine-2-carboxylic acid Openeye Name: 4-sulfanyl-1-[2-(trifluoromethyl)phenyl]sulfonyl-pyrrolidine-2-carboxylic acid CAS Name: 4-mercapto-1-[2-(trifluoromethyl)phenyl]sulfonyl-2-pyrrolidinecarboxylic acid IUPAC Name: 4-sulfanyl-1-[2-(trifluoromethyl)phenyl]sulfonylpyrrolidine-2-carboxylic acid Traditional Name: 4-mercapto-1-[2-(trifluoromethyl)phenyl]sulfonyl-proline Formula: C12H12F3NO4S2 MolecularWeight: 355.35319

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CN(C1C(=O)O)S(=O)(=O)C2=CC=CC=C2C(F)(F)F)S

Isomeric SMILES

C1C(CN(C1C(=O)O)S(=O)(=O)C2=CC=CC=C2C(F)(F)F)S

InChI

InChI=1S/C12H12F3NO4S2/c13-12(14,15)8-3-1-2-4-10(8)22(19,20)16-6-7(21)5-9(16)11(17)18/h1-4,7,9,21H,5-6H2,(H,17,18)