SpectraBase Spectrum ID |
15KXQsvVCAP |
Name |
(E)-2-[(4-Bromophenyl)(toluene-4-sulfonylamino)methyl]but-2-enethioic acid S-phenyl ester |
Alternate Name(s) |
S-phenyl (2E)-2-((4-bromophenyl){[(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 |
C24H22BrNO3S2 |
InChI |
InChI=1S/C24H22BrNO3S2/c1-3-22(24(27)30-20-7-5-4-6-8-20)23(18-11-13-19(25)14-12-18)26-31(28,29)21-15-9-17(2)10-16-21/h3-16,23,26H,1-2H3/b22-3+ |
InChIKey |
FMFGZKHYYFTGPZ-HEQWTUPCSA-N |
Molecular Weight |
516.468 g/mol |
SMILES |
N(C(\C(C(=O)Sc1ccccc1)=C/C)c1ccc(cc1)Br)S(=O)(=O)c1ccc(cc1)C |
SPLASH |
splash10-0006-9000000000-bdc66984d06fe066c085 |
Source of Spectrum |
F-62-472-6 |
Wiley ID |
1631858 |