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3-chloro-6-methyl-N-(4-{[(4-methyl-2-pyrimidinyl)amino]sulfonyl}phenyl)-1-benzothiophene-2-carboxamide
SpectraBase Compound ID K2UVb6BZb3E
InChI InChI=1S/C21H17ClN4O3S2/c1-12-3-8-16-17(11-12)30-19(18(16)22)20(27)25-14-4-6-15(7-5-14)31(28,29)26-21-23-10-9-13(2)24-21/h3-11H,1-2H3,(H,25,27)(H,23,24,26)
InChIKey DULZMICEFLKENB-UHFFFAOYSA-N
Mol Weight 472.97 g/mol
Molecular Formula C21H17ClN4O3S2
Exact Mass 472.04306 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID C39sqwC0U7H
Name 3-chloro-6-methyl-N-(4-{[(4-methyl-2-pyrimidinyl)amino]sulfonyl}phenyl)-1-benzothiophene-2-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/C21H17ClN4O3S2/c1-12-3-8-16-17(11-12)30-19(18(16)22)20(27)25-14-4-6-15(7-5-14)31(28,29)26-21-23-10-9-13(2)24-21/h3-11H,1-2H3,(H,25,27)(H,23,24,26)
InChIKey DULZMICEFLKENB-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_20115
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/9158110; UBI_ID: UBI-020119
Temperature 318 °C