2-({[4-(acetylamino)phenyl]sulfonyl}amino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide

SpectraBase Compound ID	9QhGHw167Yy
InChI	InChI=1S/C18H21N3O4S2/c1-11(22)20-12-7-9-13(10-8-12)27(24,25)21-18-16(17(19)23)14-5-3-2-4-6-15(14)26-18/h7-10,21H,2-6H2,1H3,(H2,19,23)(H,20,22)
InChIKey	PYLRETOMBMFRRQ-UHFFFAOYSA-N Google Search
Mol Weight	407.5 g/mol
Molecular Formula	C18H21N3O4S2
Exact Mass	407.097349 g/mol

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SpectraBase Spectrum ID	7HT4SwxIibS
Name	2-({[4-(acetylamino)phenyl]sulfonyl}amino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide
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/C18H21N3O4S2/c1-11(22)20-12-7-9-13(10-8-12)27(24,25)21-18-16(17(19)23)14-5-3-2-4-6-15(14)26-18/h7-10,21H,2-6H2,1H3,(H2,19,23)(H,20,22)
InChIKey	PYLRETOMBMFRRQ-UHFFFAOYSA-N
NMR Offset	18.0059
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_SBI_36227_34409
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: 8043618; SBI_ID: SBI-034413
Temperature	306 °C