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1-Cyclopropyl-6-fluoro-7-(4-(mesitylsulfonyl)piperazin-1-yl)-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
SpectraBase Compound ID Fu6Waphddiv
InChI InChI=1S/C26H28FN3O5S/c1-15-10-16(2)25(17(3)11-15)36(34,35)29-8-6-28(7-9-29)23-13-22-19(12-21(23)27)24(31)20(26(32)33)14-30(22)18-4-5-18/h10-14,18H,4-9H2,1-3H3,(H,32,33)
InChIKey CNAXZGASHRRRTD-UHFFFAOYSA-N
Mol Weight 513.58 g/mol
Molecular Formula C26H28FN3O5S
Exact Mass 513.17337 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DKehROobyHy
Name 1-Cyclopropyl-6-fluoro-7-(4-(mesitylsulfonyl)piperazin-1-yl)-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
Comments Less than 3 mono-isotopic peaks
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Formula C26H28FN3O5S
InChI InChI=1S/C26H28FN3O5S/c1-15-10-16(2)25(17(3)11-15)36(34,35)29-8-6-28(7-9-29)23-13-22-19(12-21(23)27)24(31)20(26(32)33)14-30(22)18-4-5-18/h10-14,18H,4-9H2,1-3H3,(H,32,33)
InChIKey CNAXZGASHRRRTD-UHFFFAOYSA-N
Molecular Weight 513.584 g/mol
SMILES OC(C=1C(c2cc(c(cc2N(C1)C1CC1)N1CCN(S(c2c(cc(cc2C)C)C)(=O)=O)CC1)F)=O)=O
SPLASH splash10-03di-0000090000-cbdff4bcf7e468c579d9
Source of Spectrum F2-46-5495-9b
Synonyms 1-cyclopropyl-6-fluoro-4-oxo-7-[4-(2,4,6-trimethylphenyl)sulfonyl-1-piperazinyl]-3-quinolinecarboxylic acid 1-cyclopropyl-6-fluoro-4-oxo-7-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]quinoline-3-carboxylic acid 1-cyclopropyl-6-fluoranyl-4-oxidanylidene-7-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]quinoline-3-carboxylic acid
Wiley ID 1690209