| SpectraBase Spectrum ID |
EWmzDy7VA61 |
| Name |
Benzoic acid, 2-[[[[[4-(trifluoromethyl)-2-pyrimidinyl]amino]carbonyl]amino]sulfonyl]-, methyl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
404.040225128 u |
| Formula |
C14H11F3N4O5S |
| InChI |
InChI=1S/C14H11F3N4O5S/c1-26-11(22)8-4-2-3-5-9(8)27(24,25)21-13(23)20-12-18-7-6-10(19-12)14(15,16)17/h2-7H,1H3,(H2,18,19,20,21,23) |
| InChIKey |
RNDLRFPEKRSPJF-UHFFFAOYSA-N |
| Molecular Weight |
404.320 g/mol |
| SMILES |
N(C1=NC(=CC=N1)C(F)(F)F)C(NS(C1=C(C=CC=C1)C(=O)OC)(=O)=O)=O |
![Benzoic acid, 2-[[[[[4-(trifluoromethyl)-2-pyrimidinyl]amino]carbonyl]amino]sulfonyl]-, methyl ester](/api/spectrum/EWmzDy7VA61/structure.png?h=300&w=458 "Benzoic acid, 2-[[[[[4-(trifluoromethyl)-2-pyrimidinyl]amino]carbonyl]amino]sulfonyl]-, methyl ester")
