| SpectraBase Spectrum ID |
2tmraxVq8md |
| Name |
(E)-2-[(3-Nitrophenyl)(toluene-4-sulfonylamino)methyl]but-2-enethioic acid S-phenyl ester |
| Alternate Name(s) |
S-phenyl (2E)-2-[{[(4-methylphenyl)sulfonyl]amino}(3-nitrophenyl)methyl]-2-butenethioate |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C24H22N2O5S2 |
| InChI |
InChI=1S/C24H22N2O5S2/c1-3-22(24(27)32-20-10-5-4-6-11-20)23(18-8-7-9-19(16-18)26(28)29)25-33(30,31)21-14-12-17(2)13-15-21/h3-16,23,25H,1-2H3/b22-3+ |
| InChIKey |
GRKJEHJILJXRCE-HEQWTUPCSA-N |
| Molecular Weight |
482.569 g/mol |
| SMILES |
N(C(\C(C(=O)Sc1ccccc1)=C/C)c1cc(ccc1)N(=O)=O)S(=O)(=O)c1ccc(cc1)C |
| SPLASH |
splash10-0006-9000000000-753efb1ef996059cbdc1 |
| Source of Spectrum |
F-62-472-6 |
| Wiley ID |
1631856 |
![(E)-2-[(3-Nitrophenyl)(toluene-4-sulfonylamino)methyl]but-2-enethioic acid S-phenyl ester](/api/spectrum/2tmraxVq8md/structure.png?h=300&w=458 "(E)-2-[(3-Nitrophenyl)(toluene-4-sulfonylamino)methyl]but-2-enethioic acid S-phenyl ester")
