1-ethyl-6-fluoranyl-7-[4-methyl-3-[1-(phenylsulfonyl)pyrrol-3-yl]piperazin-1-yl]-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 1-ethyl-6-fluoranyl-7-[4-methyl-3-[1-(phenylsulfonyl)pyrrol-3-yl]piperazin-1-yl]-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 7-[3-[1-(benzenesulfonyl)pyrrol-3-yl]-4-methyl-piperazin-1-yl]-1-ethyl-6-fluoro-4-oxo-quinoline-3-carboxylic acid CAS Name: 7-[3-[1-(benzenesulfonyl)-3-pyrrolyl]-4-methyl-1-piperazinyl]-1-ethyl-6-fluoro-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 7-[3-[1-(benzenesulfonyl)pyrrol-3-yl]-4-methylpiperazin-1-yl]-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxylic acid Traditional Name: 7-[3-(1-besylpyrrol-3-yl)-4-methyl-piperazino]-1-ethyl-6-fluoro-4-keto-quinoline-3-carboxylic acid Formula: C27H27FN4O5S MolecularWeight: 538.590483

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCN(C(C3)C4=CN(C=C4)S(=O)(=O)C5=CC=CC=C5)C)F)C(=O)O

Isomeric SMILES

CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCN(C(C3)C4=CN(C=C4)S(=O)(=O)C5=CC=CC=C5)C)F)C(=O)O

InChI

InChI=1S/C27H27FN4O5S/c1-3-30-16-21(27(34)35)26(33)20-13-22(28)24(14-23(20)30)31-12-11-29(2)25(17-31)18-9-10-32(15-18)38(36,37)19-7-5-4-6-8-19/h4-10,13-16,25H,3,11-12,17H2,1-2H3,(H,34,35)