| SpectraBase Spectrum ID |
6hT7PD1yTJl |
| Name |
3-((1E)-2-Cyano-3-{4-[(2,6-dimethylanilino)sulfonyl]anilino}-3-oxo-1-propenyl)phenyl 4-chlorobenzoate |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
585.112519754 u |
| Formula |
C31H24ClN3O5S |
| InChI |
InChI=1S/C31H24ClN3O5S/c1-20-5-3-6-21(2)29(20)35-41(38,39)28-15-13-26(14-16-28)34-30(36)24(19-33)17-22-7-4-8-27(18-22)40-31(37)23-9-11-25(32)12-10-23/h3-18,35H,1-2H3,(H,34,36)/b24-17+ |
| InChIKey |
HQPJUIPCOGTJPH-JJIBRWJFSA-N |
| Molecular Weight |
586.062 g/mol |
| SMILES |
N(S(C1=CC=C(NC(\C(=C\C2=CC(OC(C=3C=CC(=CC3)Cl)=O)=CC=C2)C#N)=O)C=C1)(=O)=O)C=1C(=CC=CC1C)C |
![3-((1E)-2-cyano-3-{4-[(2,6-dimethylanilino)sulfonyl]anilino}-3-oxo-1-propenyl)phenyl 4-chlorobenzoate](/api/spectrum/6hT7PD1yTJl/structure.png?h=300&w=458 "3-((1E)-2-cyano-3-{4-[(2,6-dimethylanilino)sulfonyl]anilino}-3-oxo-1-propenyl)phenyl 4-chlorobenzoate")
