| SpectraBase Spectrum ID |
JlPrRGKNyNb |
| Name |
(2E)-3-(1,3-Benzodioxol-5-yl)-N-(4-{[(4,6-dimethyl-2-pyrimidinyl)amino]sulfonyl}phenyl)-2-propenamide |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
452.115440929 u |
| Formula |
C22H20N4O5S |
| InChI |
InChI=1S/C22H20N4O5S/c1-14-11-15(2)24-22(23-14)26-32(28,29)18-7-5-17(6-8-18)25-21(27)10-4-16-3-9-19-20(12-16)31-13-30-19/h3-12H,13H2,1-2H3,(H,25,27)(H,23,24,26)/b10-4+ |
| InChIKey |
IQUTVDMNQKMKKO-ONNFQVAWSA-N |
| Molecular Weight |
452.485 g/mol |
| SMILES |
N(S(C=1C=CC(NC(\C=C\C=2C=C3OCOC3=CC2)=O)=CC1)(=O)=O)C=1N=C(C=C(N1)C)C |
![(2E)-3-(1,3-benzodioxol-5-yl)-N-(4-{[(4,6-dimethyl-2-pyrimidinyl)amino]sulfonyl}phenyl)-2-propenamide](/api/spectrum/JlPrRGKNyNb/structure.png?h=300&w=458 "(2E)-3-(1,3-benzodioxol-5-yl)-N-(4-{[(4,6-dimethyl-2-pyrimidinyl)amino]sulfonyl}phenyl)-2-propenamide")
