1-cyclopropyl-6,8-bis(fluoranyl)-7-(3-methylsulfonyloxyazetidin-1-yl)-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 1-cyclopropyl-6,8-bis(fluoranyl)-7-(3-methylsulfonyloxyazetidin-1-yl)-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 1-cyclopropyl-6,8-difluoro-7-(3-methylsulfonyloxyazetidin-1-yl)-4-oxo-quinoline-3-carboxylic acid CAS Name: 1-cyclopropyl-6,8-difluoro-7-(3-methylsulfonyloxy-1-azetidinyl)-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 1-cyclopropyl-6,8-difluoro-7-(3-methylsulfonyloxyazetidin-1-yl)-4-oxoquinoline-3-carboxylic acid Traditional Name: 1-cyclopropyl-6,8-difluoro-4-keto-7-(3-methylsulfonyloxyazetidin-1-yl)quinoline-3-carboxylic acid Formula: C17H16F2N2O6S MolecularWeight: 414.380546

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)OC1CN(C1)C2=C(C=C3C(=C2F)N(C=C(C3=O)C(=O)O)C4CC4)F

Isomeric SMILES

CS(=O)(=O)OC1CN(C1)C2=C(C=C3C(=C2F)N(C=C(C3=O)C(=O)O)C4CC4)F

InChI

InChI=1S/C17H16F2N2O6S/c1-28(25,26)27-9-5-20(6-9)15-12(18)4-10-14(13(15)19)21(8-2-3-8)7-11(16(10)22)17(23)24/h4,7-9H,2-3,5-6H2,1H3,(H,23,24)