| SpectraBase Spectrum ID |
DrFU7Cw1yGF |
| Name |
Benzoic acid, 2-[[[[[4-chloro-6-(2-cyanophenoxy)-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 |
487.035332059 u |
| Formula |
C20H14ClN5O6S |
| InChI |
InChI=1S/C20H14ClN5O6S/c1-31-18(27)13-7-3-5-9-15(13)33(29,30)26-20(28)25-19-23-16(21)10-17(24-19)32-14-8-4-2-6-12(14)11-22/h2-10H,1H3,(H2,23,24,25,26,28) |
| InChIKey |
PGUDQWGDRMVWPQ-UHFFFAOYSA-N |
| Molecular Weight |
487.874 g/mol |
| SMILES |
N(C=1N=C(C=C(N1)OC1=CC=CC=C1C#N)Cl)C(NS(=O)(=O)C1=CC=CC=C1C(OC)=O)=O |
![Benzoic acid, 2-[[[[[4-chloro-6-(2-cyanophenoxy)-2-pyrimidinyl]amino]carbonyl]amino]sulfonyl]-, methyl ester](/api/spectrum/DrFU7Cw1yGF/structure.png?h=300&w=458 "Benzoic acid, 2-[[[[[4-chloro-6-(2-cyanophenoxy)-2-pyrimidinyl]amino]carbonyl]amino]sulfonyl]-, methyl ester")
