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(2E)-2-cyano-N-{4-[(2,6-dimethylanilino)sulfonyl]phenyl}-3-(2,4,5-trimethoxyphenyl)-2-propenamide

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(2E)-2-cyano-N-{4-[(2,6-dimethylanilino)sulfonyl]phenyl}-3-(2,4,5-trimethoxyphenyl)-2-propenamide
SpectraBase Compound ID CCj6T46JJlG
InChI InChI=1S/C27H27N3O6S/c1-17-7-6-8-18(2)26(17)30-37(32,33)22-11-9-21(10-12-22)29-27(31)20(16-28)13-19-14-24(35-4)25(36-5)15-23(19)34-3/h6-15,30H,1-5H3,(H,29,31)/b20-13+
InChIKey GZTSUFABIPHNFO-DEDYPNTBSA-N
Mol Weight 521.59 g/mol
Molecular Formula C27H27N3O6S
Exact Mass 521.162057 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID H6rEwAMPUNB
Name (2E)-2-Cyano-N-{4-[(2,6-dimethylanilino)sulfonyl]phenyl}-3-(2,4,5-trimethoxyphenyl)-2-propenamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 521.162056769 u
Formula C27H27N3O6S
InChI InChI=1S/C27H27N3O6S/c1-17-7-6-8-18(2)26(17)30-37(32,33)22-11-9-21(10-12-22)29-27(31)20(16-28)13-19-14-24(35-4)25(36-5)15-23(19)34-3/h6-15,30H,1-5H3,(H,29,31)/b20-13+
InChIKey GZTSUFABIPHNFO-DEDYPNTBSA-N
Molecular Weight 521.588 g/mol
SMILES N(S(C1=CC=C(NC(\C(=C\C2=C(C=C(C(=C2)OC)OC)OC)C#N)=O)C=C1)(=O)=O)C1=C(C=CC=C1C)C