benzoic acid, 4-[[[4-[[(4,6-dimethyl-2-pyrimidinyl)amino]sulfonyl]phenyl]amino]carbonyl]-, methyl ester

SpectraBase Compound ID	JNTlbYE4F64
InChI	InChI=1S/C21H20N4O5S/c1-13-12-14(2)23-21(22-13)25-31(28,29)18-10-8-17(9-11-18)24-19(26)15-4-6-16(7-5-15)20(27)30-3/h4-12H,1-3H3,(H,24,26)(H,22,23,25)
InChIKey	UMVJZZWDWSOJGK-UHFFFAOYSA-N Google Search
Mol Weight	440.47 g/mol
Molecular Formula	C21H20N4O5S
Exact Mass	440.115441 g/mol

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SpectraBase Spectrum ID	GoCzz6cjqRq
Name	benzoic acid, 4-[[[4-[[(4,6-dimethyl-2-pyrimidinyl)amino]sulfonyl]phenyl]amino]carbonyl]-, methyl ester
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/C21H20N4O5S/c1-13-12-14(2)23-21(22-13)25-31(28,29)18-10-8-17(9-11-18)24-19(26)15-4-6-16(7-5-15)20(27)30-3/h4-12H,1-3H3,(H,24,26)(H,22,23,25)
InChIKey	UMVJZZWDWSOJGK-UHFFFAOYSA-N
NMR Offset	18.0068
NMR Spectrometer Frequency	500.134
Observed nucleus	1H
Origin	1H_CB3_9000_2355
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: NMR/11268976