5-[[3-amino-4-(3-pyridinylmethylamino)phenyl]sulfonylamino]benzene-1,3-dicarboxylic acid dimethyl ester

SpectraBase Compound ID	Hp1kKbk1svs
InChI	InChI=1S/C22H22N4O6S/c1-31-21(27)15-8-16(22(28)32-2)10-17(9-15)26-33(29,30)18-5-6-20(19(23)11-18)25-13-14-4-3-7-24-12-14/h3-12,25-26H,13,23H2,1-2H3
InChIKey	XQXBQBIQPQXQQD-UHFFFAOYSA-N Google Search
Mol Weight	470.5 g/mol
Molecular Formula	C22H22N4O6S
Exact Mass	470.126006 g/mol

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SpectraBase Spectrum ID	G34hj8YgTDT
Name	1,3-benzenedicarboxylic acid, 5-[[[3-amino-4-[(3-pyridinylmethyl)amino]phenyl]sulfonyl]amino]-, dimethyl ester
Copyright	Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	470.126005612 u
Formula	C22H22N4O6S
InChI	InChI=1S/C22H22N4O6S/c1-31-21(27)15-8-16(22(28)32-2)10-17(9-15)26-33(29,30)18-5-6-20(19(23)11-18)25-13-14-4-3-7-24-12-14/h3-12,25-26H,13,23H2,1-2H3
InChIKey	XQXBQBIQPQXQQD-UHFFFAOYSA-N
Molecular Weight	470.500 g/mol
NMR Offset	18.0068
NMR Spectrometer Frequency	500.134
Observed nucleus	1H
Sample State	Soluted
Sample_ID	1H_CB_2017_9434
Solvent	DMSO-d6
Source	Vendor ID: ZI/9069616; Lab Info: KWN; Lab Number: KWN-0003537