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

Systemtic Name: 1-[4-(trifluoromethylsulfonyl)phenyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[4-(trifluoromethylsulfonyl)phenyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[4-(trifluoromethylsulfonyl)phenyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[4-(trifluoromethylsulfonyl)phenyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-(4-triflylphenyl)proline Formula: C12H12F3NO4S MolecularWeight: 323.28819

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C2=CC=C(C=C2)S(=O)(=O)C(F)(F)F)C(=O)O

Isomeric SMILES

C1CC(N(C1)C2=CC=C(C=C2)S(=O)(=O)C(F)(F)F)C(=O)O

InChI

InChI=1S/C12H12F3NO4S/c13-12(14,15)21(19,20)9-5-3-8(4-6-9)16-7-1-2-10(16)11(17)18/h3-6,10H,1-2,7H2,(H,17,18)