1-ethyl-7-(4-ethylpiperazin-4-ium-1-yl)-6-fluoranyl-3-(4-methylphenyl)sulfonyl-quinolin-4-one

Systemtic Name: 1-ethyl-7-(4-ethylpiperazin-4-ium-1-yl)-6-fluoranyl-3-(4-methylphenyl)sulfonyl-quinolin-4-one Openeye Name: 1-ethyl-7-(4-ethylpiperazin-4-ium-1-yl)-6-fluoro-3-(p-tolylsulfonyl)quinolin-4-one CAS Name: 1-ethyl-7-(4-ethyl-1-piperazin-4-iumyl)-6-fluoro-3-(4-methylphenyl)sulfonyl-4-quinolinone IUPAC Name: 1-ethyl-7-(4-ethylpiperazin-4-ium-1-yl)-6-fluoro-3-(4-methylphenyl)sulfonylquinolin-4-one Traditional Name: 1-ethyl-7-(4-ethylpiperazin-4-ium-1-yl)-6-fluoro-3-tosyl-4-quinolone Formula: C24H29FN3O3S+ MolecularWeight: 458.568763

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=C(C=C3C(=C2)N(C=C(C3=O)S(=O)(=O)C4=CC=C(C=C4)C)CC)F

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=C(C=C3C(=C2)N(C=C(C3=O)S(=O)(=O)C4=CC=C(C=C4)C)CC)F

InChI

InChI=1S/C24H28FN3O3S/c1-4-26-10-12-28(13-11-26)22-15-21-19(14-20(22)25)24(29)23(16-27(21)5-2)32(30,31)18-8-6-17(3)7-9-18/h6-9,14-16H,4-5,10-13H2,1-3H3/p+1