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

Systemtic Name: 1-[4-methylsulfonyl-2-(trifluoromethyl)phenyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[4-methylsulfonyl-2-(trifluoromethyl)phenyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[4-methylsulfonyl-2-(trifluoromethyl)phenyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[4-methylsulfonyl-2-(trifluoromethyl)phenyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[4-mesyl-2-(trifluoromethyl)phenyl]proline Formula: C13H14F3NO4S MolecularWeight: 337.31477

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=C(C=C1)N2CCCC2C(=O)O)C(F)(F)F

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1)N2CCCC2C(=O)O)C(F)(F)F

InChI

InChI=1S/C13H14F3NO4S/c1-22(20,21)8-4-5-10(9(7-8)13(14,15)16)17-6-2-3-11(17)12(18)19/h4-5,7,11H,2-3,6H2,1H3,(H,18,19)