1-cyclopropyl-6-fluoranyl-7-[4-[[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]carbamothioyl]piperazin-1-ium-1-yl]-4-oxidanylidene-quinoline-3-carboxylate

Systemtic Name: 1-cyclopropyl-6-fluoranyl-7-[4-[[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]carbamothioyl]piperazin-1-ium-1-yl]-4-oxidanylidene-quinoline-3-carboxylate Openeye Name: 1-cyclopropyl-6-fluoro-7-[4-[[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]carbamothioyl]piperazin-1-ium-1-yl]-4-oxo-quinoline-3-carboxylate CAS Name: 1-cyclopropyl-6-fluoro-7-[4-[[4-[(3-methoxy-2-pyrazinyl)sulfamoyl]anilino]-sulfanylidenemethyl]-1-piperazin-1-iumyl]-4-oxo-3-quinolinecarboxylate IUPAC Name: 1-cyclopropyl-6-fluoro-7-[4-[[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]carbamothioyl]piperazin-1-ium-1-yl]-4-oxoquinoline-3-carboxylate Traditional Name: 1-cyclopropyl-6-fluoro-4-keto-7-[4-[[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]thiocarbamoyl]piperazin-1-ium-1-yl]quinoline-3-carboxylate Formula: C29H28FN7O6S2 MolecularWeight: 653.704323

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NC=CN=C1NS(=O)(=O)C2=CC=C(C=C2)NC(=S)N3CC[NH+](CC3)C4=C(C=C5C(=C4)N(C=C(C5=O)C(=O)[O-])C6CC6)F

Isomeric SMILES

COC1=NC=CN=C1NS(=O)(=O)C2=CC=C(C=C2)NC(=S)N3CC[NH+](CC3)C4=C(C=C5C(=C4)N(C=C(C5=O)C(=O)[O-])C6CC6)F

InChI

InChI=1S/C29H28FN7O6S2/c1-43-27-26(31-8-9-32-27)34-45(41,42)19-6-2-17(3-7-19)33-29(44)36-12-10-35(11-13-36)24-15-23-20(14-22(24)30)25(38)21(28(39)40)16-37(23)18-4-5-18/h2-3,6-9,14-16,18H,4-5,10-13H2,1H3,(H,31,34)(H,33,44)(H,39,40)