| SpectraBase Spectrum ID |
788If2bQeFL |
| Name |
(2E)-3-(1,3-Benzodioxol-5-yl)-N-{4-[(2-pyrimidinylamino)sulfonyl]phenyl}-2-propenamide |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
424.084140800 u |
| Formula |
C20H16N4O5S |
| InChI |
InChI=1S/C20H16N4O5S/c25-19(9-3-14-2-8-17-18(12-14)29-13-28-17)23-15-4-6-16(7-5-15)30(26,27)24-20-21-10-1-11-22-20/h1-12H,13H2,(H,23,25)(H,21,22,24)/b9-3+ |
| InChIKey |
JBAFMMISVXLJAK-YCRREMRBSA-N |
| Molecular Weight |
424.431 g/mol |
| SMILES |
N(S(C=1C=CC(NC(\C=C\C=2C=C3OCOC3=CC2)=O)=CC1)(=O)=O)C1=NC=CC=N1 |
![(2E)-3-(1,3-benzodioxol-5-yl)-N-{4-[(2-pyrimidinylamino)sulfonyl]phenyl}-2-propenamide](/api/spectrum/788If2bQeFL/structure.png?h=300&w=458 "(2E)-3-(1,3-benzodioxol-5-yl)-N-{4-[(2-pyrimidinylamino)sulfonyl]phenyl}-2-propenamide")
