(4S)-7-fluoranyl-N-[2-methoxy-5-(4-methylpiperazin-4-ium-1-yl)sulfonyl-phenyl]-2-oxidanylidene-3,4-dihydro-1H-quinoline-4-carboxamide

Systemtic Name: (4S)-7-fluoranyl-N-[2-methoxy-5-(4-methylpiperazin-4-ium-1-yl)sulfonyl-phenyl]-2-oxidanylidene-3,4-dihydro-1H-quinoline-4-carboxamide Openeye Name: (4S)-7-fluoro-N-[2-methoxy-5-(4-methylpiperazin-4-ium-1-yl)sulfonyl-phenyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide CAS Name: (4S)-7-fluoro-N-[2-methoxy-5-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]phenyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide IUPAC Name: (4S)-7-fluoro-N-[2-methoxy-5-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide Traditional Name: (4S)-7-fluoro-2-keto-N-[2-methoxy-5-(4-methylpiperazin-4-ium-1-yl)sulfonyl-phenyl]-3,4-dihydro-1H-quinoline-4-carboxamide Formula: C22H26FN4O5S+ MolecularWeight: 477.529043

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)OC)NC(=O)C3CC(=O)NC4=C3C=CC(=C4)F

Isomeric SMILES

C[NH+]1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)OC)NC(=O)[C@H]3CC(=O)NC4=C3C=CC(=C4)F

InChI

InChI=1S/C22H25FN4O5S/c1-26-7-9-27(10-8-26)33(30,31)15-4-6-20(32-2)19(12-15)25-22(29)17-13-21(28)24-18-11-14(23)3-5-16(17)18/h3-6,11-12,17H,7-10,13H2,1-2H3,(H,24,28)(H,25,29)/p+1/t17-/m0/s1