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3-(2-chlorophenyl)-N-(4-{[cyclohexyl(methyl)amino]sulfonyl}phenyl)-5-methyl-4-isoxazolecarboxamide
SpectraBase Compound ID Ds3QpCcOqK0
InChI InChI=1S/C24H26ClN3O4S/c1-16-22(23(27-32-16)20-10-6-7-11-21(20)25)24(29)26-17-12-14-19(15-13-17)33(30,31)28(2)18-8-4-3-5-9-18/h6-7,10-15,18H,3-5,8-9H2,1-2H3,(H,26,29)
InChIKey RXKFWNJHRYORKH-UHFFFAOYSA-N
Mol Weight 488.0 g/mol
Molecular Formula C24H26ClN3O4S
Exact Mass 487.133255 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6VNxyZ58qVh
Name 3-(2-Chlorophenyl)-N-(4-{[cyclohexyl(methyl)amino]sulfonyl}phenyl)-5-methyl-4-isoxazolecarboxamide
Comments Computed using HOSE algorithm
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Exact Mass 487.133255199 u
Formula C24H26ClN3O4S
InChI InChI=1S/C24H26ClN3O4S/c1-16-22(23(27-32-16)20-10-6-7-11-21(20)25)24(29)26-17-12-14-19(15-13-17)33(30,31)28(2)18-8-4-3-5-9-18/h6-7,10-15,18H,3-5,8-9H2,1-2H3,(H,26,29)
InChIKey RXKFWNJHRYORKH-UHFFFAOYSA-N
Molecular Weight 488.002 g/mol
SMILES N(C(C=1C(=NOC1C)C1=C(Cl)C=CC=C1)=O)C1=CC=C(S(N(C2CCCCC2)C)(=O)=O)C=C1