7-[4-(5-bromanylthiophen-2-yl)sulfonylpiperazin-1-yl]-1-cyclopropyl-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 7-[4-(5-bromanylthiophen-2-yl)sulfonylpiperazin-1-yl]-1-cyclopropyl-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 7-[4-[(5-bromo-2-thienyl)sulfonyl]piperazin-1-yl]-1-cyclopropyl-6-fluoro-4-oxo-quinoline-3-carboxylic acid CAS Name: 7-[4-[(5-bromo-2-thiophenyl)sulfonyl]-1-piperazinyl]-1-cyclopropyl-6-fluoro-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 7-[4-(5-bromothiophen-2-yl)sulfonylpiperazin-1-yl]-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid Traditional Name: 7-[4-[(5-bromo-2-thienyl)sulfonyl]piperazino]-1-cyclopropyl-6-fluoro-4-keto-quinoline-3-carboxylic acid Formula: C21H19BrFN3O5S2 MolecularWeight: 556.425063

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C=C(C(=O)C3=CC(=C(C=C32)N4CCN(CC4)S(=O)(=O)C5=CC=C(S5)Br)F)C(=O)O

Isomeric SMILES

C1CC1N2C=C(C(=O)C3=CC(=C(C=C32)N4CCN(CC4)S(=O)(=O)C5=CC=C(S5)Br)F)C(=O)O

InChI

InChI=1S/C21H19BrFN3O5S2/c22-18-3-4-19(32-18)33(30,31)25-7-5-24(6-8-25)17-10-16-13(9-15(17)23)20(27)14(21(28)29)11-26(16)12-1-2-12/h3-4,9-12H,1-2,5-8H2,(H,28,29)