benzoic acid, 4-[[3-[[5-bromo-2,3-dihydro-1-(1-oxopropyl)-1H-indol-7-yl]sulfonyl]-1-oxopropyl]amino]-, methyl ester

SpectraBase Compound ID	JknQaMMLFec
InChI	InChI=1S/C22H23BrN2O6S/c1-3-20(27)25-10-8-15-12-16(23)13-18(21(15)25)32(29,30)11-9-19(26)24-17-6-4-14(5-7-17)22(28)31-2/h4-7,12-13H,3,8-11H2,1-2H3,(H,24,26)
InChIKey	JSDMZXNUPBHLLT-UHFFFAOYSA-N Google Search
Mol Weight	523.4 g/mol
Molecular Formula	C22H23BrN2O6S
Exact Mass	522.046021 g/mol

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SpectraBase Spectrum ID	AhSYaK87Eya
Name	benzoic acid, 4-[[3-[[5-bromo-2,3-dihydro-1-(1-oxopropyl)-1H-indol-7-yl]sulfonyl]-1-oxopropyl]amino]-, 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/C22H23BrN2O6S/c1-3-20(27)25-10-8-15-12-16(23)13-18(21(15)25)32(29,30)11-9-19(26)24-17-6-4-14(5-7-17)22(28)31-2/h4-7,12-13H,3,8-11H2,1-2H3,(H,24,26)
InChIKey	JSDMZXNUPBHLLT-UHFFFAOYSA-N
NMR Offset	18.0068
NMR Spectrometer Frequency	500.134
Observed nucleus	1H
Origin	1H_CB3_9000_8102
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/12258238