| SpectraBase Spectrum ID |
CPV92AGjML3 |
| Name |
(E)-2-[(4-Nitrophenyl)(toluene-4-sulfonylamino)methyl]but-2-enethioic acid S-phenyl ester |
| Alternate Name(s) |
S-phenyl (2E)-2-[{[(4-methylphenyl)sulfonyl]amino}(4-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)32-20-7-5-4-6-8-20)23(18-11-13-19(14-12-18)26(28)29)25-33(30,31)21-15-9-17(2)10-16-21/h3-16,23,25H,1-2H3/b22-3+ |
| InChIKey |
IHNIKHUSYSFHTC-HEQWTUPCSA-N |
| Molecular Weight |
482.569 g/mol |
| SMILES |
N(C(\C(C(=O)Sc1ccccc1)=C/C)c1ccc(cc1)N(=O)=O)S(=O)(=O)c1ccc(cc1)C |
| SPLASH |
splash10-006x-9005000000-568649a1eae258d43478 |
| Source of Spectrum |
F-62-472-6 |
| Wiley ID |
1631857 |
![(E)-2-[(4-Nitrophenyl)(toluene-4-sulfonylamino)methyl]but-2-enethioic acid S-phenyl ester](/api/spectrum/CPV92AGjML3/structure.png?h=300&w=458 "(E)-2-[(4-Nitrophenyl)(toluene-4-sulfonylamino)methyl]but-2-enethioic acid S-phenyl ester")
