3-(2,5-dimethylphenyl)sulfonyl-7-(4-ethylpiperazin-4-ium-1-yl)-6-fluoranyl-1-methyl-quinolin-4-one

Systemtic Name: 3-(2,5-dimethylphenyl)sulfonyl-7-(4-ethylpiperazin-4-ium-1-yl)-6-fluoranyl-1-methyl-quinolin-4-one Openeye Name: 3-(2,5-dimethylphenyl)sulfonyl-7-(4-ethylpiperazin-4-ium-1-yl)-6-fluoro-1-methyl-quinolin-4-one CAS Name: 3-(2,5-dimethylphenyl)sulfonyl-7-(4-ethyl-1-piperazin-4-iumyl)-6-fluoro-1-methyl-4-quinolinone IUPAC Name: 3-(2,5-dimethylphenyl)sulfonyl-7-(4-ethylpiperazin-4-ium-1-yl)-6-fluoro-1-methylquinolin-4-one Traditional Name: 3-(2,5-dimethylphenyl)sulfonyl-7-(4-ethylpiperazin-4-ium-1-yl)-6-fluoro-1-methyl-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=C(C=CC(=C4)C)C)C)F

Isomeric SMILES

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

InChI

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