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

Systemtic Name: 1-ethyl-6-fluoranyl-7-(4-phenylpiperazin-1-yl)-3-(phenylsulfonyl)quinolin-4-one Openeye Name: 3-(benzenesulfonyl)-1-ethyl-6-fluoro-7-(4-phenylpiperazin-1-yl)quinolin-4-one CAS Name: 3-(benzenesulfonyl)-1-ethyl-6-fluoro-7-(4-phenyl-1-piperazinyl)-4-quinolinone IUPAC Name: 3-(benzenesulfonyl)-1-ethyl-6-fluoro-7-(4-phenylpiperazin-1-yl)quinolin-4-one Traditional Name: 3-besyl-1-ethyl-6-fluoro-7-(4-phenylpiperazino)-4-quinolone Formula: C27H26FN3O3S MolecularWeight: 491.577043

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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

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

InChI

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