7-[2-(aminocarbonyloxymethyl)-4-oxidanylidene-1-sulfo-azetidin-3-yl]-5-azanylidene-1-ethyl-6-fluoranyl-2-(2-methylpiperazin-1-yl)-4-oxidanylidene-6H-quinoline-3-carboxylic acid

Systemtic Name: 7-[2-(aminocarbonyloxymethyl)-4-oxidanylidene-1-sulfo-azetidin-3-yl]-5-azanylidene-1-ethyl-6-fluoranyl-2-(2-methylpiperazin-1-yl)-4-oxidanylidene-6H-quinoline-3-carboxylic acid Openeye Name: 7-[2-(carbamoyloxymethyl)-4-oxo-1-sulfo-azetidin-3-yl]-1-ethyl-6-fluoro-5-imino-2-(2-methylpiperazin-1-yl)-4-oxo-6H-quinoline-3-carboxylic acid CAS Name: 7-[2-(carbamoyloxymethyl)-4-oxo-1-sulfo-3-azetidinyl]-1-ethyl-6-fluoro-5-imino-2-(2-methyl-1-piperazinyl)-4-oxo-6H-quinoline-3-carboxylic acid IUPAC Name: 7-[2-(carbamoyloxymethyl)-4-oxo-1-sulfoazetidin-3-yl]-1-ethyl-6-fluoro-5-imino-2-(2-methylpiperazin-1-yl)-4-oxo-6H-quinoline-3-carboxylic acid Traditional Name: 7-[2-(carbamoyloxymethyl)-4-keto-1-sulfo-azetidin-3-yl]-1-ethyl-6-fluoro-5-imino-4-keto-2-(2-methylpiperazino)-6H-quinoline-3-carboxylic acid Formula: C22H27FN6O9S MolecularWeight: 570.547983

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C(=N)C(C(=C2)C3C(N(C3=O)S(=O)(=O)O)COC(=O)N)F)C(=O)C(=C1N4CCNCC4C)C(=O)O

Isomeric SMILES

CCN1C2=C(C(=N)C(C(=C2)C3C(N(C3=O)S(=O)(=O)O)COC(=O)N)F)C(=O)C(=C1N4CCNCC4C)C(=O)O

InChI

InChI=1S/C22H27FN6O9S/c1-3-27-11-6-10(13-12(8-38-22(25)34)29(20(13)31)39(35,36)37)16(23)17(24)14(11)18(30)15(21(32)33)19(27)28-5-4-26-7-9(28)2/h6,9,12-13,16,24,26H,3-5,7-8H2,1-2H3,(H2,25,34)(H,32,33)(H,35,36,37)