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methyl 2-({[4-(acetylamino)phenyl]sulfonyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
SpectraBase Compound ID 2r0WhN5EhRt
InChI InChI=1S/C18H20N2O5S2/c1-11(21)19-12-7-9-13(10-8-12)27(23,24)20-17-16(18(22)25-2)14-5-3-4-6-15(14)26-17/h7-10,20H,3-6H2,1-2H3,(H,19,21)
InChIKey VLDGTYUPQAZPLE-UHFFFAOYSA-N
Mol Weight 408.49 g/mol
Molecular Formula C18H20N2O5S2
Exact Mass 408.081364 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 86wVXGu4i7L
Name methyl 2-({[4-(acetylamino)phenyl]sulfonyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-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/C18H20N2O5S2/c1-11(21)19-12-7-9-13(10-8-12)27(23,24)20-17-16(18(22)25-2)14-5-3-4-6-15(14)26-17/h7-10,20H,3-6H2,1-2H3,(H,19,21)
InChIKey VLDGTYUPQAZPLE-UHFFFAOYSA-N
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_12316
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: D71752; Labnumber: SPDEM4-23691; SBI_ID: SBI-012319
Temperature 306 °C