1-ethyl-6-fluoranyl-4-oxidanylidene-7-[4-[(2-oxidanylidene-1-sulfo-azetidin-3-yl)iminomethyl]piperazin-1-yl]quinoline-3-carboxylic acid

Systemtic Name: 1-ethyl-6-fluoranyl-4-oxidanylidene-7-[4-[(2-oxidanylidene-1-sulfo-azetidin-3-yl)iminomethyl]piperazin-1-yl]quinoline-3-carboxylic acid Openeye Name: 1-ethyl-6-fluoro-4-oxo-7-[4-[(2-oxo-1-sulfo-azetidin-3-yl)iminomethyl]piperazin-1-yl]quinoline-3-carboxylic acid CAS Name: 1-ethyl-6-fluoro-4-oxo-7-[4-[(2-oxo-1-sulfo-3-azetidinyl)iminomethyl]-1-piperazinyl]-3-quinolinecarboxylic acid IUPAC Name: 1-ethyl-6-fluoro-4-oxo-7-[4-[(2-oxo-1-sulfoazetidin-3-yl)iminomethyl]piperazin-1-yl]quinoline-3-carboxylic acid Traditional Name: 1-ethyl-6-fluoro-4-keto-7-[4-[(2-keto-1-sulfo-azetidin-3-yl)iminomethyl]piperazino]quinoline-3-carboxylic acid Formula: C20H22FN5O7S MolecularWeight: 495.481383

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCN(CC3)C=NC4CN(C4=O)S(=O)(=O)O)F)C(=O)O

Isomeric SMILES

CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCN(CC3)C=NC4CN(C4=O)S(=O)(=O)O)F)C(=O)O

InChI

InChI=1S/C20H22FN5O7S/c1-2-24-9-13(20(29)30)18(27)12-7-14(21)17(8-16(12)24)25-5-3-23(4-6-25)11-22-15-10-26(19(15)28)34(31,32)33/h7-9,11,15H,2-6,10H2,1H3,(H,29,30)(H,31,32,33)