(2E)-3-(1,3-benzodioxol-5-yl)-N-(4-{[(2,6-dimethyl-4-pyrimidinyl)amino]sulfonyl}phenyl)-2-propenamide

SpectraBase Compound ID	C15wjebExiS
InChI	InChI=1S/C22H20N4O5S/c1-14-11-21(24-15(2)23-14)26-32(28,29)18-7-5-17(6-8-18)25-22(27)10-4-16-3-9-19-20(12-16)31-13-30-19/h3-12H,13H2,1-2H3,(H,25,27)(H,23,24,26)/b10-4+
InChIKey	MTYBUNBUQAHLPY-ONNFQVAWSA-N Google Search
Mol Weight	452.49 g/mol
Molecular Formula	C22H20N4O5S
Exact Mass	452.115441 g/mol

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SpectraBase Spectrum ID	4lxHSJ73CAS
Name	(2E)-3-(1,3-benzodioxol-5-yl)-N-(4-{[(2,6-dimethyl-4-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/C22H20N4O5S/c1-14-11-21(24-15(2)23-14)26-32(28,29)18-7-5-17(6-8-18)25-22(27)10-4-16-3-9-19-20(12-16)31-13-30-19/h3-12H,13H2,1-2H3,(H,25,27)(H,23,24,26)/b10-4+
InChIKey	MTYBUNBUQAHLPY-ONNFQVAWSA-N
NMR Offset	15.328
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_UZI_26187_14451
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/9082880; Labnumber: NSB0065375; UZI_ID: UZI-014455
Synonyms	3-(1,3-benzodioxol-5-yl)-N-(4-{[(2,6-dimethyl-4-pyrimidinyl)amino]sulfonyl}phenyl)-2-propenamide
Temperature	318 °C