[2-oxidanylidene-2-[4-(phenylsulfonyl)piperazin-1-yl]ethyl] 7-fluoranyl-2-methyl-quinoline-3-carboxylate

Systemtic Name: [2-oxidanylidene-2-[4-(phenylsulfonyl)piperazin-1-yl]ethyl] 7-fluoranyl-2-methyl-quinoline-3-carboxylate Openeye Name: [2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxo-ethyl] 7-fluoro-2-methyl-quinoline-3-carboxylate CAS Name: 7-fluoro-2-methyl-3-quinolinecarboxylic acid [2-[4-(benzenesulfonyl)-1-piperazinyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxoethyl] 7-fluoro-2-methylquinoline-3-carboxylate Traditional Name: 7-fluoro-2-methyl-quinoline-3-carboxylic acid [2-(4-besylpiperazino)-2-keto-ethyl] ester Formula: C23H22FN3O5S MolecularWeight: 471.501283

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C=CC(=CC2=N1)F)C(=O)OCC(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

CC1=C(C=C2C=CC(=CC2=N1)F)C(=O)OCC(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C23H22FN3O5S/c1-16-20(13-17-7-8-18(24)14-21(17)25-16)23(29)32-15-22(28)26-9-11-27(12-10-26)33(30,31)19-5-3-2-4-6-19/h2-8,13-14H,9-12,15H2,1H3