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(2E)-3-(1,3-benzodioxol-5-yl)-N-(4-{[(4,6-dimethyl-2-pyrimidinyl)amino]sulfonyl}phenyl)-2-propenamide
SpectraBase Compound ID 5GwnNhtHBBL
InChI InChI=1S/C22H20N4O5S/c1-14-11-15(2)24-22(23-14)26-32(28,29)18-7-5-17(6-8-18)25-21(27)10-4-16-3-9-19-20(12-16)31-13-30-19/h3-12H,13H2,1-2H3,(H,25,27)(H,23,24,26)/b10-4+
InChIKey IQUTVDMNQKMKKO-ONNFQVAWSA-N
Mol Weight 452.49 g/mol
Molecular Formula C22H20N4O5S
Exact Mass 452.115441 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 7KuqEyuY0IH
Name (2E)-3-(1,3-benzodioxol-5-yl)-N-(4-{[(4,6-dimethyl-2-pyrimidinyl)amino]sulfonyl}phenyl)-2-propenamide
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/C22H20N4O5S/c1-14-11-15(2)24-22(23-14)26-32(28,29)18-7-5-17(6-8-18)25-21(27)10-4-16-3-9-19-20(12-16)31-13-30-19/h3-12H,13H2,1-2H3,(H,25,27)(H,23,24,26)/b10-4+
InChIKey IQUTVDMNQKMKKO-ONNFQVAWSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_16951
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/8198381; UBI_ID: UBI-016954
Synonyms 3-(1,3-benzodioxol-5-yl)-N-(4-{[(4,6-dimethyl-2-pyrimidinyl)amino]sulfonyl}phenyl)-2-propenamide
Temperature 318 °C