| SpectraBase Spectrum ID |
3SgDUZFl8vG |
| Name |
Benzoic acid, 2-[[[[[4-methoxy-6-(trifluoromethyl)-2-pyrimidinyl]amino]carbonyl]amino]sulfonyl]-, propyl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
462.082089940 u |
| Formula |
C17H17F3N4O6S |
| InChI |
InChI=1S/C17H17F3N4O6S/c1-3-8-30-14(25)10-6-4-5-7-11(10)31(27,28)24-16(26)23-15-21-12(17(18,19)20)9-13(22-15)29-2/h4-7,9H,3,8H2,1-2H3,(H2,21,22,23,24,26) |
| InChIKey |
CRYKIORBUQMDCW-UHFFFAOYSA-N |
| Molecular Weight |
462.400 g/mol |
| SMILES |
N(S(C1=C(C=CC=C1)C(OCCC)=O)(=O)=O)C(NC1=NC(=CC(=N1)OC)C(F)(F)F)=O |
![Benzoic acid, 2-[[[[[4-methoxy-6-(trifluoromethyl)-2-pyrimidinyl]amino]carbonyl]amino]sulfonyl]-, propyl ester](/api/spectrum/3SgDUZFl8vG/structure.png?h=300&w=458 "Benzoic acid, 2-[[[[[4-methoxy-6-(trifluoromethyl)-2-pyrimidinyl]amino]carbonyl]amino]sulfonyl]-, propyl ester")
