2-(2,2-dibromovinyl)-6-methoxy-3-[(3-thienylmethyl)amino]phenyl benzenesulfonate

SpectraBase Compound ID	6WTfjXUKQbL
InChI	InChI=1S/C20H17Br2NO4S2/c1-26-18-8-7-17(23-12-14-9-10-28-13-14)16(11-19(21)22)20(18)27-29(24,25)15-5-3-2-4-6-15/h2-11,13,23H,12H2,1H3
InChIKey	YCHXMMQMRNTFCP-UHFFFAOYSA-N Google Search
Mol Weight	559.29 g/mol
Molecular Formula	C20H17Br2NO4S2
Exact Mass	556.896576 g/mol

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SpectraBase Spectrum ID	ETZO3vB3K54
Name	2-(2,2-dibromovinyl)-6-methoxy-3-[(3-thienylmethyl)amino]phenyl benzenesulfonate
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C20H17Br2NO4S2
InChI	InChI=1S/C20H17Br2NO4S2/c1-26-18-8-7-17(23-12-14-9-10-28-13-14)16(11-19(21)22)20(18)27-29(24,25)15-5-3-2-4-6-15/h2-11,13,23H,12H2,1H3
InChIKey	YCHXMMQMRNTFCP-UHFFFAOYSA-N
Literature Reference DOI	10.1021/ol801932z
Molecular Weight	559.287 g/mol
SMILES	N(c1c(c(c(cc1)OC)OS(c1ccccc1)(=O)=O)C=C(Br)Br)Cc1cscc1
SPLASH	splash10-0a4v-8076090000-cc66f78cffdf2dd7173b
Source of Spectrum	A1-10-4633/SMS4-1c
Synonyms	2-(2,2-dibromovinyl)-6-methoxy-3-((thiophen-3-ylmethyl)amino)phenyl benzenesulfonate
Wiley ID	1759940