| SpectraBase Spectrum ID |
2Pst7RIyNC4 |
| Name |
1-Cyclopropyl-6-fluoro-4-oxo-7-(4-((2,3,4,5,6-pentamethylphenyl)sulfonyl)piperazin-1-yl)-1,4-dihydroquinoline-3-carboxylic acid |
| Alternate Name(s) |
1-cyclopropyl-6-fluoro-4-oxo-7-[4-(2,3,4,5,6-pentamethylphenyl)sulfonyl-1-piperazinyl]-3-quinolinecarboxylic acid
1-cyclopropyl-6-fluoro-4-oxo-7-[4-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperazin-1-yl]quinoline-3-carboxylic acid
1-cyclopropyl-6-fluoranyl-4-oxidanylidene-7-[4-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperazin-1-yl]quinoline-3-carboxylic acid |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C28H32FN3O5S |
| InChI |
InChI=1S/C28H32FN3O5S/c1-15-16(2)18(4)27(19(5)17(15)3)38(36,37)31-10-8-30(9-11-31)25-13-24-21(12-23(25)29)26(33)22(28(34)35)14-32(24)20-6-7-20/h12-14,20H,6-11H2,1-5H3,(H,34,35) |
| InChIKey |
YPWKIXRBHCSKRZ-UHFFFAOYSA-N |
| Molecular Weight |
541.638 g/mol |
| SMILES |
OC(C=1C(c2cc(c(cc2N(C1)C1CC1)N1CCN(S(c2c(c(C)c(c(c2C)C)C)C)(=O)=O)CC1)F)=O)=O |
| SPLASH |
splash10-0006-0000090000-31e1911da866b0163d78 |
| Source of Spectrum |
F2-46-5495-11b |
| Wiley ID |
1690205 |
