4-Bromanyl-N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-3-piperidin-1-ylsulfonyl-benzamide

SpectraBase Compound ID	6RZ5SlzdHPL
InChI	InChI=1S/C20H20BrN3O3S2/c21-16-8-7-13(11-18(16)29(26,27)24-9-2-1-3-10-24)19(25)23-20-15(12-22)14-5-4-6-17(14)28-20/h7-8,11H,1-6,9-10H2,(H,23,25)
InChIKey	MXCAOYVUZGSJPG-UHFFFAOYSA-N Google Search
Mol Weight	494.42 g/mol
Molecular Formula	C20H20BrN3O3S2
Exact Mass	493.012947 g/mol

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SpectraBase Spectrum ID	Hxue1UQx3kl
Name	benzamide, 4-bromo-N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thien-2-yl)-3-(1-piperidinylsulfonyl)-
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/C20H20BrN3O3S2/c21-16-8-7-13(11-18(16)29(26,27)24-9-2-1-3-10-24)19(25)23-20-15(12-22)14-5-4-6-17(14)28-20/h7-8,11H,1-6,9-10H2,(H,23,25)
InChIKey	MXCAOYVUZGSJPG-UHFFFAOYSA-N
NMR Offset	15.2038
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_ASIOH_8516_5634
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: ZI/6054084; Labnumber: SP-1251; IOH_ID: IOH-012637
Temperature	313 °C