1-[3,4-bis(fluoranyl)phenyl]sulfonyl-4-methoxy-pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[3,4-bis(fluoranyl)phenyl]sulfonyl-4-methoxy-pyrrolidine-2-carboxylic acid Openeye Name: 1-(3,4-difluorophenyl)sulfonyl-4-methoxy-pyrrolidine-2-carboxylic acid CAS Name: 1-(3,4-difluorophenyl)sulfonyl-4-methoxy-2-pyrrolidinecarboxylic acid IUPAC Name: 1-(3,4-difluorophenyl)sulfonyl-4-methoxypyrrolidine-2-carboxylic acid Traditional Name: 1-(3,4-difluorophenyl)sulfonyl-4-methoxy-proline Formula: C12H13F2NO5S MolecularWeight: 321.297126

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Descriptors Computed from Structure

Canonical SMILES:

COC1CC(N(C1)S(=O)(=O)C2=CC(=C(C=C2)F)F)C(=O)O

Isomeric SMILES

COC1CC(N(C1)S(=O)(=O)C2=CC(=C(C=C2)F)F)C(=O)O

InChI

InChI=1S/C12H13F2NO5S/c1-20-7-4-11(12(16)17)15(6-7)21(18,19)8-2-3-9(13)10(14)5-8/h2-3,5,7,11H,4,6H2,1H3,(H,16,17)