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2-(4-chlorophenoxy)-N-(4-{[(4-methyl-2-pyrimidinyl)amino]sulfonyl}phenyl)acetamide
SpectraBase Compound ID Ae4lJc6Nwz
InChI InChI=1S/C19H17ClN4O4S/c1-13-10-11-21-19(22-13)24-29(26,27)17-8-4-15(5-9-17)23-18(25)12-28-16-6-2-14(20)3-7-16/h2-11H,12H2,1H3,(H,23,25)(H,21,22,24)
InChIKey RIOJWGIVBKUULQ-UHFFFAOYSA-N
Mol Weight 432.88 g/mol
Molecular Formula C19H17ClN4O4S
Exact Mass 432.065904 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CfLV6cQyOHC
Name 2-(4-Chlorophenoxy)-N-(4-{[(4-methyl-2-pyrimidinyl)amino]sulfonyl}phenyl)acetamide
Comments Computed using HOSE algorithm
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Exact Mass 432.065903913 u
Formula C19H17ClN4O4S
InChI InChI=1S/C19H17ClN4O4S/c1-13-10-11-21-19(22-13)24-29(26,27)17-8-4-15(5-9-17)23-18(25)12-28-16-6-2-14(20)3-7-16/h2-11H,12H2,1H3,(H,23,25)(H,21,22,24)
InChIKey RIOJWGIVBKUULQ-UHFFFAOYSA-N
Molecular Weight 432.882 g/mol
SMILES N(S(C1=CC=C(NC(=O)COC=2C=CC(Cl)=CC2)C=C1)(=O)=O)C=1N=C(C)C=CN1