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

SpectraBase Compound ID	99Zbu92AjZC
InChI	InChI=1S/C20H16N4O5S/c25-19(9-3-14-2-8-17-18(12-14)29-13-28-17)23-15-4-6-16(7-5-15)30(26,27)24-20-21-10-1-11-22-20/h1-12H,13H2,(H,23,25)(H,21,22,24)/b9-3+
InChIKey	JBAFMMISVXLJAK-YCRREMRBSA-N Google Search
Mol Weight	424.43 g/mol
Molecular Formula	C20H16N4O5S
Exact Mass	424.084141 g/mol

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SpectraBase Spectrum ID	IuevdyAsq4D
Name	(2E)-3-(1,3-benzodioxol-5-yl)-N-{4-[(2-pyrimidinylamino)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/C20H16N4O5S/c25-19(9-3-14-2-8-17-18(12-14)29-13-28-17)23-15-4-6-16(7-5-15)30(26,27)24-20-21-10-1-11-22-20/h1-12H,13H2,(H,23,25)(H,21,22,24)/b9-3+
InChIKey	JBAFMMISVXLJAK-YCRREMRBSA-N
NMR Offset	15.328
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_UBI_21270_9207
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/9042756; UBI_ID: UBI-009210
Synonyms	3-(1,3-benzodioxol-5-yl)-N-{4-[(2-pyrimidinylamino)sulfonyl]phenyl}-2-propenamide
Temperature	318 °C