6-fluoranyl-1-methyl-3-(4-methylphenyl)sulfonyl-7-(4-methylpiperazin-1-yl)quinolin-4-one

Systemtic Name: 6-fluoranyl-1-methyl-3-(4-methylphenyl)sulfonyl-7-(4-methylpiperazin-1-yl)quinolin-4-one Openeye Name: 6-fluoro-1-methyl-7-(4-methylpiperazin-1-yl)-3-(p-tolylsulfonyl)quinolin-4-one CAS Name: 6-fluoro-1-methyl-3-(4-methylphenyl)sulfonyl-7-(4-methyl-1-piperazinyl)-4-quinolinone IUPAC Name: 6-fluoro-1-methyl-3-(4-methylphenyl)sulfonyl-7-(4-methylpiperazin-1-yl)quinolin-4-one Traditional Name: 6-fluoro-1-methyl-7-(4-methylpiperazino)-3-tosyl-4-quinolone Formula: C22H24FN3O3S MolecularWeight: 429.507663

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C2=CN(C3=CC(=C(C=C3C2=O)F)N4CCN(CC4)C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C2=CN(C3=CC(=C(C=C3C2=O)F)N4CCN(CC4)C)C

InChI

InChI=1S/C22H24FN3O3S/c1-15-4-6-16(7-5-15)30(28,29)21-14-25(3)19-13-20(18(23)12-17(19)22(21)27)26-10-8-24(2)9-11-26/h4-7,12-14H,8-11H2,1-3H3