1-[3,5-bis(fluoranyl)phenyl]sulfonyl-4-methoxy-pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[3,5-bis(fluoranyl)phenyl]sulfonyl-4-methoxy-pyrrolidine-2-carboxylic acid Openeye Name: 1-(3,5-difluorophenyl)sulfonyl-4-methoxy-pyrrolidine-2-carboxylic acid CAS Name: 1-(3,5-difluorophenyl)sulfonyl-4-methoxy-2-pyrrolidinecarboxylic acid IUPAC Name: 1-(3,5-difluorophenyl)sulfonyl-4-methoxypyrrolidine-2-carboxylic acid Traditional Name: 1-(3,5-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(=CC(=C2)F)F)C(=O)O

Isomeric SMILES

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

InChI

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