| SpectraBase Spectrum ID |
qXNbCImVOD |
| Name |
(E)-2-[(4-Methylphenyl)(toluene-4-sulfonylamino)methyl]but-2-enethioic acid S-phenyl ester |
| Alternate Name(s) |
S-phenyl (2E)-2-((4-methylphenyl){[(4-methylphenyl)sulfonyl]amino}methyl)-2-butenethioate |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C25H25NO3S2 |
| InChI |
InChI=1S/C25H25NO3S2/c1-4-23(25(27)30-21-8-6-5-7-9-21)24(20-14-10-18(2)11-15-20)26-31(28,29)22-16-12-19(3)13-17-22/h4-17,24,26H,1-3H3/b23-4+ |
| InChIKey |
WQLVFLRQAIDIDL-QFSHWATDSA-N |
| Molecular Weight |
451.599 g/mol |
| SMILES |
N(C(\C(C(=O)Sc1ccccc1)=C/C)c1ccc(cc1)C)S(=O)(=O)c1ccc(cc1)C |
| SPLASH |
splash10-014l-9008000000-44d684a34862c74b3209 |
| Source of Spectrum |
F-62-472-6 |
| Wiley ID |
1631855 |
![(E)-2-[(4-Methylphenyl)(toluene-4-sulfonylamino)methyl]but-2-enethioic acid S-phenyl ester](/api/spectrum/qXNbCImVOD/structure.png?h=300&w=458 "(E)-2-[(4-Methylphenyl)(toluene-4-sulfonylamino)methyl]but-2-enethioic acid S-phenyl ester")
