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

Systemtic Name: 1-ethyl-6-fluoranyl-4-oxidanylidene-7-[3-[1-(phenylsulfonyl)pyrrol-3-yl]piperazin-1-yl]quinoline-3-carboxylic acid Openeye Name: 7-[3-[1-(benzenesulfonyl)pyrrol-3-yl]piperazin-1-yl]-1-ethyl-6-fluoro-4-oxo-quinoline-3-carboxylic acid CAS Name: 7-[3-[1-(benzenesulfonyl)-3-pyrrolyl]-1-piperazinyl]-1-ethyl-6-fluoro-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 7-[3-[1-(benzenesulfonyl)pyrrol-3-yl]piperazin-1-yl]-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxylic acid Traditional Name: 7-[3-(1-besylpyrrol-3-yl)piperazino]-1-ethyl-6-fluoro-4-keto-quinoline-3-carboxylic acid Formula: C26H25FN4O5S MolecularWeight: 524.563903

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCNC(C3)C4=CN(C=C4)S(=O)(=O)C5=CC=CC=C5)F)C(=O)O

Isomeric SMILES

CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCNC(C3)C4=CN(C=C4)S(=O)(=O)C5=CC=CC=C5)F)C(=O)O

InChI

InChI=1S/C26H25FN4O5S/c1-2-29-15-20(26(33)34)25(32)19-12-21(27)24(13-23(19)29)30-11-9-28-22(16-30)17-8-10-31(14-17)37(35,36)18-6-4-3-5-7-18/h3-8,10,12-15,22,28H,2,9,11,16H2,1H3,(H,33,34)