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

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(2E)-3-(2-butoxyphenyl)-2-cyano-N-{4-[(2,6-dimethylanilino)sulfonyl]phenyl}-2-propenamide
SpectraBase Compound ID 5A3p8C5PVsC
InChI InChI=1S/C28H29N3O4S/c1-4-5-17-35-26-12-7-6-11-22(26)18-23(19-29)28(32)30-24-13-15-25(16-14-24)36(33,34)31-27-20(2)9-8-10-21(27)3/h6-16,18,31H,4-5,17H2,1-3H3,(H,30,32)/b23-18+
InChIKey MUUGDJAFKBBZOO-PTGBLXJZSA-N
Mol Weight 503.62 g/mol
Molecular Formula C28H29N3O4S
Exact Mass 503.187878 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8IqsmUTVDIq
Name (2E)-3-(2-Butoxyphenyl)-2-cyano-N-{4-[(2,6-dimethylanilino)sulfonyl]phenyl}-2-propenamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 503.187877596 u
Formula C28H29N3O4S
InChI InChI=1S/C28H29N3O4S/c1-4-5-17-35-26-12-7-6-11-22(26)18-23(19-29)28(32)30-24-13-15-25(16-14-24)36(33,34)31-27-20(2)9-8-10-21(27)3/h6-16,18,31H,4-5,17H2,1-3H3,(H,30,32)/b23-18+
InChIKey MUUGDJAFKBBZOO-PTGBLXJZSA-N
Molecular Weight 503.617 g/mol
SMILES N(C(\C(=C\C1=C(OCCCC)C=CC=C1)C#N)=O)C=1C=CC(S(NC=2C(=CC=CC2C)C)(=O)=O)=CC1