| SpectraBase Spectrum ID |
9z9l8Siw8Md |
| Name |
7-(4-((2,4-Difluorophenyl)sulfonyl)piperazin-1-yl)-1-cyclopropyl-6-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
507.107576414 u |
| Formula |
C23H20F3N3O5S |
| InChI |
InChI=1S/C23H20F3N3O5S/c24-13-1-4-21(18(26)9-13)35(33,34)28-7-5-27(6-8-28)20-11-19-15(10-17(20)25)22(30)16(23(31)32)12-29(19)14-2-3-14/h1,4,9-12,14H,2-3,5-8H2,(H,31,32) |
| InChIKey |
VPHFEBHYXHHJGH-UHFFFAOYSA-N |
| Molecular Weight |
507.484 g/mol |
| SMILES |
C=1(S(N2CCN(C3=CC=4N(C=C(C(C4C=C3F)=O)C(=O)O)C3CC3)CC2)(=O)=O)C(=CC(=CC1)F)F |
