benzoic acid, 3-[[4-chloro-3-[(hexahydro-1H-azepin-1-yl)sulfonyl]benzoyl]amino]-

SpectraBase Compound ID	DQclc1oXWrE
InChI	InChI=1S/C20H21ClN2O5S/c21-17-9-8-14(19(24)22-16-7-5-6-15(12-16)20(25)26)13-18(17)29(27,28)23-10-3-1-2-4-11-23/h5-9,12-13H,1-4,10-11H2,(H,22,24)(H,25,26)
InChIKey	HUVHEVNCIMLRMZ-UHFFFAOYSA-N Google Search
Mol Weight	436.91 g/mol
Molecular Formula	C20H21ClN2O5S
Exact Mass	436.085971 g/mol

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SpectraBase Spectrum ID	KM5QqhmDrb2
Name	benzoic acid, 3-[[4-chloro-3-[(hexahydro-1H-azepin-1-yl)sulfonyl]benzoyl]amino]-
Copyright	Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	436.085970653 u
Formula	C20H21ClN2O5S
InChI	InChI=1S/C20H21ClN2O5S/c21-17-9-8-14(19(24)22-16-7-5-6-15(12-16)20(25)26)13-18(17)29(27,28)23-10-3-1-2-4-11-23/h5-9,12-13H,1-4,10-11H2,(H,22,24)(H,25,26)
InChIKey	HUVHEVNCIMLRMZ-UHFFFAOYSA-N
Molecular Weight	436.910 g/mol
NMR Offset	18.0059
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Sample State	Soluted
Sample_ID	1H_CB_2017_20
Solvent	DMSO-d6
Source	Vendor ID: ZI/8045496; Lab Info: SP; Lab Number: SP-0002028
Temperature	29.85 °C