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

Systemtic Name: 6-fluoranyl-1-methyl-3-(3-methylphenyl)sulfonyl-7-(4-phenylpiperazin-1-yl)quinolin-4-one Openeye Name: 6-fluoro-1-methyl-3-(m-tolylsulfonyl)-7-(4-phenylpiperazin-1-yl)quinolin-4-one CAS Name: 6-fluoro-1-methyl-3-(3-methylphenyl)sulfonyl-7-(4-phenyl-1-piperazinyl)-4-quinolinone IUPAC Name: 6-fluoro-1-methyl-3-(3-methylphenyl)sulfonyl-7-(4-phenylpiperazin-1-yl)quinolin-4-one Traditional Name: 6-fluoro-1-methyl-3-(m-tolylsulfonyl)-7-(4-phenylpiperazino)-4-quinolone Formula: C27H26FN3O3S MolecularWeight: 491.577043

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)S(=O)(=O)C2=CN(C3=CC(=C(C=C3C2=O)F)N4CCN(CC4)C5=CC=CC=C5)C

Isomeric SMILES

CC1=CC(=CC=C1)S(=O)(=O)C2=CN(C3=CC(=C(C=C3C2=O)F)N4CCN(CC4)C5=CC=CC=C5)C

InChI

InChI=1S/C27H26FN3O3S/c1-19-7-6-10-21(15-19)35(33,34)26-18-29(2)24-17-25(23(28)16-22(24)27(26)32)31-13-11-30(12-14-31)20-8-4-3-5-9-20/h3-10,15-18H,11-14H2,1-2H3