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methyl 2-({[4-(acetylamino)phenyl]sulfonyl}amino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
SpectraBase Compound ID 2Ta0on2FK44
InChI InChI=1S/C19H22N2O5S2/c1-12(22)20-13-8-10-14(11-9-13)28(24,25)21-18-17(19(23)26-2)15-6-4-3-5-7-16(15)27-18/h8-11,21H,3-7H2,1-2H3,(H,20,22)
InChIKey VLJITGIQYXRWSR-UHFFFAOYSA-N
Mol Weight 422.51 g/mol
Molecular Formula C19H22N2O5S2
Exact Mass 422.097014 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 80HLQhTe2Hx
Name methyl 2-({[4-(acetylamino)phenyl]sulfonyl}amino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
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/C19H22N2O5S2/c1-12(22)20-13-8-10-14(11-9-13)28(24,25)21-18-17(19(23)26-2)15-6-4-3-5-7-16(15)27-18/h8-11,21H,3-7H2,1-2H3,(H,20,22)
InChIKey VLJITGIQYXRWSR-UHFFFAOYSA-N
NMR Offset 14.9921
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_12848
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: UZI/8027660; Labnumber: NSB0015133; UZI_ID: UZI-012852
Temperature 313 °C