| SpectraBase Spectrum ID |
CuNFYuSwkRS |
| Name |
Benzoic acid, 2-[[[[[4-chloro-6-(4-methoxyphenoxy)-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 |
492.050647770 u |
| Formula |
C20H17ClN4O7S |
| InChI |
InChI=1S/C20H17ClN4O7S/c1-30-12-7-9-13(10-8-12)32-17-11-16(21)22-19(23-17)24-20(27)25-33(28,29)15-6-4-3-5-14(15)18(26)31-2/h3-11H,1-2H3,(H2,22,23,24,25,27) |
| InChIKey |
KBTQDEWFSRGDJG-UHFFFAOYSA-N |
| Molecular Weight |
492.890 g/mol |
| SMILES |
N(C=1N=C(C=C(N1)OC1=CC=C(C=C1)OC)Cl)C(NS(C1=CC=CC=C1C(OC)=O)(=O)=O)=O |
![Benzoic acid, 2-[[[[[4-chloro-6-(4-methoxyphenoxy)-2-pyrimidinyl]amino]carbonyl]amino]sulfonyl]-, methyl ester](/api/spectrum/CuNFYuSwkRS/structure.png?h=300&w=458 "Benzoic acid, 2-[[[[[4-chloro-6-(4-methoxyphenoxy)-2-pyrimidinyl]amino]carbonyl]amino]sulfonyl]-, methyl ester")
