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

Systemtic Name: 1-ethyl-6-fluoranyl-3-(3-methylphenyl)sulfonyl-7-(4-phenylpiperazin-1-yl)quinolin-4-one Openeye Name: 1-ethyl-6-fluoro-3-(m-tolylsulfonyl)-7-(4-phenylpiperazin-1-yl)quinolin-4-one CAS Name: 1-ethyl-6-fluoro-3-(3-methylphenyl)sulfonyl-7-(4-phenyl-1-piperazinyl)-4-quinolinone IUPAC Name: 1-ethyl-6-fluoro-3-(3-methylphenyl)sulfonyl-7-(4-phenylpiperazin-1-yl)quinolin-4-one Traditional Name: 1-ethyl-6-fluoro-3-(m-tolylsulfonyl)-7-(4-phenylpiperazino)-4-quinolone Formula: C28H28FN3O3S MolecularWeight: 505.603623

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCN(CC3)C4=CC=CC=C4)F)S(=O)(=O)C5=CC=CC(=C5)C

Isomeric SMILES

CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCN(CC3)C4=CC=CC=C4)F)S(=O)(=O)C5=CC=CC(=C5)C

InChI

InChI=1S/C28H28FN3O3S/c1-3-30-19-27(36(34,35)22-11-7-8-20(2)16-22)28(33)23-17-24(29)26(18-25(23)30)32-14-12-31(13-15-32)21-9-5-4-6-10-21/h4-11,16-19H,3,12-15H2,1-2H3