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1-Cyclopropyl-6-fluoro-7-(4-(naphthalen-2-ylsulfonyl)piperazin-1-yl)-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
SpectraBase Compound ID 3vSKM1av11K
InChI InChI=1S/C27H24FN3O5S/c28-23-14-21-24(31(19-6-7-19)16-22(26(21)32)27(33)34)15-25(23)29-9-11-30(12-10-29)37(35,36)20-8-5-17-3-1-2-4-18(17)13-20/h1-5,8,13-16,19H,6-7,9-12H2,(H,33,34)
InChIKey TWVVQKWZZJAFLG-UHFFFAOYSA-N
Mol Weight 521.56 g/mol
Molecular Formula C27H24FN3O5S
Exact Mass 521.14207 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4EtZAYeANNF
Name 1-Cyclopropyl-6-fluoro-7-(4-(naphthalen-2-ylsulfonyl)piperazin-1-yl)-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H24FN3O5S
InChI InChI=1S/C27H24FN3O5S/c28-23-14-21-24(31(19-6-7-19)16-22(26(21)32)27(33)34)15-25(23)29-9-11-30(12-10-29)37(35,36)20-8-5-17-3-1-2-4-18(17)13-20/h1-5,8,13-16,19H,6-7,9-12H2,(H,33,34)
InChIKey TWVVQKWZZJAFLG-UHFFFAOYSA-N
Molecular Weight 521.563 g/mol
SMILES OC(C=1C(c2cc(c(cc2N(C1)C1CC1)N1CCN(S(c2cc3ccccc3cc2)(=O)=O)CC1)F)=O)=O
SPLASH splash10-00di-0000090000-cf6e9a5aef9fd1e7e970
Source of Spectrum F2-46-5494-1b
Synonyms 1-cyclopropyl-6-fluoro-7-[4-(2-naphthalenylsulfonyl)-1-piperazinyl]-4-oxo-3-quinolinecarboxylic acid 1-cyclopropyl-6-fluoro-7-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid 1-cyclopropyl-6-fluoro-7-[4-(2-naphthylsulfonyl)piperazin-1-yl]-4-oxo-quinoline-3-carboxylic acid 1-cyclopropyl-6-fluoranyl-7-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-4-oxidanylidene-quinoline-3-carboxylic acid
Wiley ID 1690225