| SpectraBase Spectrum ID |
IPro2B5bS3P |
| Name |
(2E)-3-(3-Chlorophenyl)-N-(4-{[(4-methyl-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 |
428.070989294 u |
| Formula |
C20H17ClN4O3S |
| InChI |
InChI=1S/C20H17ClN4O3S/c1-14-11-12-22-20(23-14)25-29(27,28)18-8-6-17(7-9-18)24-19(26)10-5-15-3-2-4-16(21)13-15/h2-13H,1H3,(H,24,26)(H,22,23,25)/b10-5+ |
| InChIKey |
CUYCCFDJICRHGX-BJMVGYQFSA-N |
| Molecular Weight |
428.894 g/mol |
| SMILES |
N(S(C1=CC=C(NC(\C=C\C=2C=C(Cl)C=CC2)=O)C=C1)(=O)=O)C=1N=C(C)C=CN1 |
![(2E)-3-(3-chlorophenyl)-N-(4-{[(4-methyl-2-pyrimidinyl)amino]sulfonyl}phenyl)-2-propenamide](/api/spectrum/IPro2B5bS3P/structure.png?h=300&w=458 "(2E)-3-(3-chlorophenyl)-N-(4-{[(4-methyl-2-pyrimidinyl)amino]sulfonyl}phenyl)-2-propenamide")
