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N-(4-{[(4,6-dimethyl-2-pyrimidinyl)amino]sulfonyl}phenyl)-2-(mesityloxy)acetamide

View entire compound with spectra: 2 NMR

N-(4-{[(4,6-dimethyl-2-pyrimidinyl)amino]sulfonyl}phenyl)-2-(mesityloxy)acetamide
SpectraBase Compound ID 1W9VOD9Bhcf
InChI InChI=1S/C23H26N4O4S/c1-14-10-15(2)22(16(3)11-14)31-13-21(28)26-19-6-8-20(9-7-19)32(29,30)27-23-24-17(4)12-18(5)25-23/h6-12H,13H2,1-5H3,(H,26,28)(H,24,25,27)
InChIKey BUWQPMZQGUJZDV-UHFFFAOYSA-N
Mol Weight 454.55 g/mol
Molecular Formula C23H26N4O4S
Exact Mass 454.167477 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5TOAVeRZHNX
Name N-(4-{[(4,6-dimethyl-2-pyrimidinyl)amino]sulfonyl}phenyl)-2-(mesityloxy)acetamide
Comments Computed using HOSE algorithm
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Exact Mass 454.167476503 u
Formula C23H26N4O4S
InChI InChI=1S/C23H26N4O4S/c1-14-10-15(2)22(16(3)11-14)31-13-21(28)26-19-6-8-20(9-7-19)32(29,30)27-23-24-17(4)12-18(5)25-23/h6-12H,13H2,1-5H3,(H,26,28)(H,24,25,27)
InChIKey BUWQPMZQGUJZDV-UHFFFAOYSA-N
Molecular Weight 454.545 g/mol
SMILES N(C(=O)COC1=C(C=C(C=C1C)C)C)C=1C=CC(S(NC2=NC(C)=CC(=N2)C)(=O)=O)=CC1