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2,4-dichloro-N-(4-{[(4-methyl-2-pyrimidinyl)amino]sulfonyl}phenyl)benzamide
SpectraBase Compound ID 4rkBjS4AOQp
InChI InChI=1S/C18H14Cl2N4O3S/c1-11-8-9-21-18(22-11)24-28(26,27)14-5-3-13(4-6-14)23-17(25)15-7-2-12(19)10-16(15)20/h2-10H,1H3,(H,23,25)(H,21,22,24)
InChIKey DSRPCWRNWZTFMF-UHFFFAOYSA-N
Mol Weight 437.3 g/mol
Molecular Formula C18H14Cl2N4O3S
Exact Mass 436.016367 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5R8z79yza9Z
Name 2,4-Dichloro-N-(4-{[(4-methyl-2-pyrimidinyl)amino]sulfonyl}phenyl)benzamide
Comments Computed using HOSE algorithm
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Exact Mass 436.016366898 u
Formula C18H14Cl2N4O3S
InChI InChI=1S/C18H14Cl2N4O3S/c1-11-8-9-21-18(22-11)24-28(26,27)14-5-3-13(4-6-14)23-17(25)15-7-2-12(19)10-16(15)20/h2-10H,1H3,(H,23,25)(H,21,22,24)
InChIKey DSRPCWRNWZTFMF-UHFFFAOYSA-N
Molecular Weight 437.301 g/mol
SMILES N(S(C1=CC=C(NC(C=2C(=CC(=CC2)Cl)Cl)=O)C=C1)(=O)=O)C1=NC(C)=CC=N1