| SpectraBase Spectrum ID |
4hiecMV4Rwy |
| Name |
(E)-2-[(3-Nitrophenyl)(toluene-4-sulfonylamino)methyl]penta-2,4-dienoic acid phenyl ester |
| Alternate Name(s) |
phenyl (2E)-2-[{[(4-methylphenyl)sulfonyl]amino}(3-nitrophenyl)methyl]-2,4-pentadienoate |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C25H22N2O6S |
| InChI |
InChI=1S/C25H22N2O6S/c1-3-8-23(25(28)33-21-11-5-4-6-12-21)24(19-9-7-10-20(17-19)27(29)30)26-34(31,32)22-15-13-18(2)14-16-22/h3-17,24,26H,1H2,2H3/b23-8+ |
| InChIKey |
DKUQGUZYFFJSFS-LIMNOBDPSA-N |
| Molecular Weight |
478.519 g/mol |
| SMILES |
N(C(\C(C(=O)Oc1ccccc1)=C/C=C)c1cc(ccc1)N(=O)=O)S(=O)(=O)c1ccc(cc1)C |
| SPLASH |
splash10-0006-9000000000-32d68257dd5ae29c0b5d |
| Source of Spectrum |
F-62-474-8 |
| Wiley ID |
1631847 |
![(E)-2-[(3-Nitrophenyl)(toluene-4-sulfonylamino)methyl]penta-2,4-dienoic acid phenyl ester](/api/spectrum/4hiecMV4Rwy/structure.png?h=300&w=458 "(E)-2-[(3-Nitrophenyl)(toluene-4-sulfonylamino)methyl]penta-2,4-dienoic acid phenyl ester")
