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

Systemtic Name: 1-butyl-3-(2,5-dimethylphenyl)sulfonyl-7-(4-ethylpiperazin-4-ium-1-yl)-6-fluoranyl-quinolin-4-one Openeye Name: 1-butyl-3-(2,5-dimethylphenyl)sulfonyl-7-(4-ethylpiperazin-4-ium-1-yl)-6-fluoro-quinolin-4-one CAS Name: 1-butyl-3-(2,5-dimethylphenyl)sulfonyl-7-(4-ethyl-1-piperazin-4-iumyl)-6-fluoro-4-quinolinone IUPAC Name: 1-butyl-3-(2,5-dimethylphenyl)sulfonyl-7-(4-ethylpiperazin-4-ium-1-yl)-6-fluoroquinolin-4-one Traditional Name: 1-butyl-3-(2,5-dimethylphenyl)sulfonyl-7-(4-ethylpiperazin-4-ium-1-yl)-6-fluoro-4-quinolone Formula: C27H35FN3O3S+ MolecularWeight: 500.648503

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C=C(C(=O)C2=CC(=C(C=C21)N3CC[NH+](CC3)CC)F)S(=O)(=O)C4=C(C=CC(=C4)C)C

Isomeric SMILES

CCCCN1C=C(C(=O)C2=CC(=C(C=C21)N3CC[NH+](CC3)CC)F)S(=O)(=O)C4=C(C=CC(=C4)C)C

InChI

InChI=1S/C27H34FN3O3S/c1-5-7-10-31-18-26(35(33,34)25-15-19(3)8-9-20(25)4)27(32)21-16-22(28)24(17-23(21)31)30-13-11-29(6-2)12-14-30/h8-9,15-18H,5-7,10-14H2,1-4H3/p+1