| SpectraBase Spectrum ID |
8u3uPHk1fKA |
| Name |
3-[(3'-Fluoro-5'-trifluoromethyl-2'-pyridinyl)amino]-2-hydroxypropanenitrile 4-benzenesulfonate |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C16H13F4N3O3S |
| InChI |
InChI=1S/C16H13F4N3O3S/c1-10-2-4-13(5-3-10)27(24,25)26-12(7-21)9-23-15-14(17)6-11(8-22-15)16(18,19)20/h2-6,8,12H,9H2,1H3,(H,22,23) |
| InChIKey |
PMZQDBRZRMVOMM-UHFFFAOYSA-N |
| Molecular Weight |
403.352 g/mol |
| SMILES |
N(c1ncc(C(F)(F)F)cc1F)CC(C#N)OS(c1ccc(cc1)C)(=O)=O |
| SPLASH |
splash10-0a4i-0090000000-2dce564b71337092ac69 |
| Source of Spectrum |
Y-28-974-8 |
| Synonyms |
1-cyano-2-{[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]amino}ethyl 4-methylbenzenesulfonate
4-Methylbenzenesulfonic acid[1-cyano-2-[[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]ester
4-Methylbenzenesulfonic acid[1-cyano-2-[[3-fluoro-5-(trifluoromethyl)-2-pyridyl]amino]ethyl]ester
[1-cyano-2-[[3-fluoranyl-5-(trifluoromethyl)pyridin-2-yl]amino]ethyl]4-methylbenzenesulfonate
[1-cyano-2-[[3-fluoro-5-(trifluoromethyl)-2-pyridyl]amino]ethyl]4-methylbenzenesulfonate
[1-cyano-2-[[3-fluoro-5-(trifluoromethyl)pyridin-2-yl]amino]ethyl]4-methylbenzenesulfonate
4-Methylbenzenesulfonic acid [1-cyano-2-[[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]amino]ethyl] ester
[1-cyano-2-[[3-fluoro-5-(trifluoromethyl)pyridin-2-yl]amino]ethyl] 4-methylbenzenesulfonate
[1-cyano-2-[[3-fluoro-5-(trifluoromethyl)-2-pyridyl]amino]ethyl] 4-methylbenzenesulfonate
[1-cyano-2-[[3-fluoranyl-5-(trifluoromethyl)pyridin-2-yl]amino]ethyl] 4-methylbenzenesulfonate |
| Wiley ID |
1370778 |
![3-[(3'-Fluoro-5'-trifluoromethyl-2'-pyridinyl)amino]-2-hydroxypropanenitrile 4-benzenesulfonate](/api/spectrum/8u3uPHk1fKA/structure.png?h=300&w=458 "3-[(3'-Fluoro-5'-trifluoromethyl-2'-pyridinyl)amino]-2-hydroxypropanenitrile 4-benzenesulfonate")
