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

Systemtic Name: 1-cyclopropyl-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-cyclopropyl-6-fluoro-4-oxo-quinoline-3-carboxylic acid CAS Name: 7-[3-[1-(benzenesulfonyl)-3-pyrrolyl]-1-piperazinyl]-1-cyclopropyl-6-fluoro-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 7-[3-[1-(benzenesulfonyl)pyrrol-3-yl]piperazin-1-yl]-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid Traditional Name: 7-[3-(1-besylpyrrol-3-yl)piperazino]-1-cyclopropyl-6-fluoro-4-keto-quinoline-3-carboxylic acid Formula: C27H25FN4O5S MolecularWeight: 536.574603

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C=C(C(=O)C3=CC(=C(C=C32)N4CCNC(C4)C5=CN(C=C5)S(=O)(=O)C6=CC=CC=C6)F)C(=O)O

Isomeric SMILES

C1CC1N2C=C(C(=O)C3=CC(=C(C=C32)N4CCNC(C4)C5=CN(C=C5)S(=O)(=O)C6=CC=CC=C6)F)C(=O)O

InChI

InChI=1S/C27H25FN4O5S/c28-22-12-20-24(32(18-6-7-18)15-21(26(20)33)27(34)35)13-25(22)30-11-9-29-23(16-30)17-8-10-31(14-17)38(36,37)19-4-2-1-3-5-19/h1-5,8,10,12-15,18,23,29H,6-7,9,11,16H2,(H,34,35)