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

Systemtic Name: 1-butyl-7-(4-ethylpiperazin-4-ium-1-yl)-6-fluoranyl-3-(4-methylphenyl)sulfonyl-quinolin-4-one Openeye Name: 1-butyl-7-(4-ethylpiperazin-4-ium-1-yl)-6-fluoro-3-(p-tolylsulfonyl)quinolin-4-one CAS Name: 1-butyl-7-(4-ethyl-1-piperazin-4-iumyl)-6-fluoro-3-(4-methylphenyl)sulfonyl-4-quinolinone IUPAC Name: 1-butyl-7-(4-ethylpiperazin-4-ium-1-yl)-6-fluoro-3-(4-methylphenyl)sulfonylquinolin-4-one Traditional Name: 1-butyl-7-(4-ethylpiperazin-4-ium-1-yl)-6-fluoro-3-tosyl-4-quinolone Formula: C26H33FN3O3S+ MolecularWeight: 486.621923

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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=CC=C(C=C4)C

Isomeric SMILES

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

InChI

InChI=1S/C26H32FN3O3S/c1-4-6-11-30-18-25(34(32,33)20-9-7-19(3)8-10-20)26(31)21-16-22(27)24(17-23(21)30)29-14-12-28(5-2)13-15-29/h7-10,16-18H,4-6,11-15H2,1-3H3/p+1