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N-{4-[({4-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-2-pyrimidinyl}amino)sulfonyl]phenyl}hexanamide

View entire compound with spectra: 2 NMR

N-{4-[({4-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-2-pyrimidinyl}amino)sulfonyl]phenyl}hexanamide
SpectraBase Compound ID BY2tvfrwokT
InChI InChI=1S/C26H30N4O5S/c1-4-5-6-7-25(31)28-20-11-13-22(14-12-20)36(32,33)30-26-27-17-16-21(29-26)10-8-19-9-15-23(34-2)24(18-19)35-3/h8-18H,4-7H2,1-3H3,(H,28,31)(H,27,29,30)/b10-8+
InChIKey ABYOVYKHAORECF-CSKARUKUSA-N
Mol Weight 510.61 g/mol
Molecular Formula C26H30N4O5S
Exact Mass 510.193691 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IIcJa81RWha
Name N-{4-[({4-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-2-pyrimidinyl}amino)sulfonyl]phenyl}hexanamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 510.193691251 u
Formula C26H30N4O5S
InChI InChI=1S/C26H30N4O5S/c1-4-5-6-7-25(31)28-20-11-13-22(14-12-20)36(32,33)30-26-27-17-16-21(29-26)10-8-19-9-15-23(34-2)24(18-19)35-3/h8-18H,4-7H2,1-3H3,(H,28,31)(H,27,29,30)/b10-8+
InChIKey ABYOVYKHAORECF-CSKARUKUSA-N
Molecular Weight 510.609 g/mol
SMILES N(C(=O)CCCCC)C=1C=CC(S(NC2=NC(\C=C\C=3C=C(OC)C(=CC3)OC)=CC=N2)(=O)=O)=CC1