1-[2,6-bis(fluoranyl)phenyl]sulfonyl-4-sulfanyl-pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[2,6-bis(fluoranyl)phenyl]sulfonyl-4-sulfanyl-pyrrolidine-2-carboxylic acid Openeye Name: 1-(2,6-difluorophenyl)sulfonyl-4-sulfanyl-pyrrolidine-2-carboxylic acid CAS Name: 1-(2,6-difluorophenyl)sulfonyl-4-mercapto-2-pyrrolidinecarboxylic acid IUPAC Name: 1-(2,6-difluorophenyl)sulfonyl-4-sulfanylpyrrolidine-2-carboxylic acid Traditional Name: 1-(2,6-difluorophenyl)sulfonyl-4-mercapto-proline Formula: C11H11F2NO4S2 MolecularWeight: 323.336146

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CN(C1C(=O)O)S(=O)(=O)C2=C(C=CC=C2F)F)S

Isomeric SMILES

C1C(CN(C1C(=O)O)S(=O)(=O)C2=C(C=CC=C2F)F)S

InChI

InChI=1S/C11H11F2NO4S2/c12-7-2-1-3-8(13)10(7)20(17,18)14-5-6(19)4-9(14)11(15)16/h1-3,6,9,19H,4-5H2,(H,15,16)