3-{[(2E)-2-cyano-3-(3-methoxy-2-{[(4-methylphenyl)sulfonyl]oxy}phenyl)-2-propenoyl]amino}benzoic acid

SpectraBase Compound ID	3lsjKTGPzqf
InChI	InChI=1S/C25H20N2O7S/c1-16-9-11-21(12-10-16)35(31,32)34-23-17(5-4-8-22(23)33-2)13-19(15-26)24(28)27-20-7-3-6-18(14-20)25(29)30/h3-14H,1-2H3,(H,27,28)(H,29,30)/b19-13+
InChIKey	DAYIRSYDNSAAEM-CPNJWEJPSA-N Google Search
Mol Weight	492.5 g/mol
Molecular Formula	C25H20N2O7S
Exact Mass	492.099122 g/mol

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SpectraBase Spectrum ID	FXnpRhOaSYV
Name	3-{[(2E)-2-cyano-3-(3-methoxy-2-{[(4-methylphenyl)sulfonyl]oxy}phenyl)-2-propenoyl]amino}benzoic acid
Author	A.V.Yarkov, IPAC, Russia
Copyright	Copyright © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved.
InChI	InChI=1S/C25H20N2O7S/c1-16-9-11-21(12-10-16)35(31,32)34-23-17(5-4-8-22(23)33-2)13-19(15-26)24(28)27-20-7-3-6-18(14-20)25(29)30/h3-14H,1-2H3,(H,27,28)(H,29,30)/b19-13+
InChIKey	DAYIRSYDNSAAEM-CPNJWEJPSA-N
NMR Offset	17.5285
NMR Spectrometer Frequency	500.138
Observed nucleus	1H
Origin	1H_UZI_26187_2825
Owner	Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State	soluted
Solvent	DMSO-d6
Source File Reference	VendorID: UZI/1011123; Labnumber: ARF4034; UZI_ID: UZI-002827
Synonyms	3-{[2-cyano-3-(3-methoxy-2-{[(4-methylphenyl)sulfonyl]oxy}phenyl)-2-propenoyl]amino}benzoic acid
Temperature	300 °C