(2S)-4-[bis(fluoranyl)methylidene]-1-(4-methylphenyl)sulfonyl-pyrrolidine-2-carboxylic acid

Systemtic Name: (2S)-4-[bis(fluoranyl)methylidene]-1-(4-methylphenyl)sulfonyl-pyrrolidine-2-carboxylic acid Openeye Name: (2S)-4-(difluoromethylene)-1-(p-tolylsulfonyl)pyrrolidine-2-carboxylic acid CAS Name: (2S)-4-(difluoromethylidene)-1-(4-methylphenyl)sulfonyl-2-pyrrolidinecarboxylic acid IUPAC Name: (2S)-4-(difluoromethylidene)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxylic acid Traditional Name: (2S)-4-(difluoromethylene)-1-tosyl-proline Formula: C13H13F2NO4S MolecularWeight: 317.308426

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CC(=C(F)F)CC2C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CC(=C(F)F)C[C@H]2C(=O)O

InChI

InChI=1S/C13H13F2NO4S/c1-8-2-4-10(5-3-8)21(19,20)16-7-9(12(14)15)6-11(16)13(17)18/h2-5,11H,6-7H2,1H3,(H,17,18)/t11-/m0/s1