(2E)-3-(1,3-benzodioxol-5-yl)-N-(4-{[(4-methyl-2-pyrimidinyl)amino]sulfonyl}phenyl)-2-propenamide

SpectraBase Compound ID	15utlvYb5dv
InChI	InChI=1S/C21H18N4O5S/c1-14-10-11-22-21(23-14)25-31(27,28)17-6-4-16(5-7-17)24-20(26)9-3-15-2-8-18-19(12-15)30-13-29-18/h2-12H,13H2,1H3,(H,24,26)(H,22,23,25)/b9-3+
InChIKey	MBVZGBJUMBTBFZ-YCRREMRBSA-N Google Search
Mol Weight	438.46 g/mol
Molecular Formula	C21H18N4O5S
Exact Mass	438.099791 g/mol

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SpectraBase Spectrum ID	5KXTC84kdJS
Name	(2E)-3-(1,3-benzodioxol-5-yl)-N-(4-{[(4-methyl-2-pyrimidinyl)amino]sulfonyl}phenyl)-2-propenamide
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/C21H18N4O5S/c1-14-10-11-22-21(23-14)25-31(27,28)17-6-4-16(5-7-17)24-20(26)9-3-15-2-8-18-19(12-15)30-13-29-18/h2-12H,13H2,1H3,(H,24,26)(H,22,23,25)/b9-3+
InChIKey	MBVZGBJUMBTBFZ-YCRREMRBSA-N
NMR Offset	15.449
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_UBI-VK_18310_5087
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: 114778; Labnumber: SERK1-19720; VK_ID: VK-005090
Synonyms	3-(1,3-benzodioxol-5-yl)-N-(4-{[(4-methyl-2-pyrimidinyl)amino]sulfonyl}phenyl)-2-propenamide
Temperature	308 °C