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Methyl 4,5-dimethoxy-2-[({[(4-methylphenyl)sulfonyl]amino}carbonyl)amino]benzoate
SpectraBase Compound ID CJos8gNTsKk
InChI InChI=1S/C18H20N2O7S/c1-11-5-7-12(8-6-11)28(23,24)20-18(22)19-14-10-16(26-3)15(25-2)9-13(14)17(21)27-4/h5-10H,1-4H3,(H2,19,20,22)
InChIKey LWSCKPLKVDNUCG-UHFFFAOYSA-N
Mol Weight 408.43 g/mol
Molecular Formula C18H20N2O7S
Exact Mass 408.099122 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CbKWjWoMADj
Name Methyl 4,5-dimethoxy-2-[({[(4-methylphenyl)sulfonyl]amino}carbonyl)amino]benzoate
Comments Computed using HOSE algorithm
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Exact Mass 408.099122159 u
Formula C18H20N2O7S
InChI InChI=1S/C18H20N2O7S/c1-11-5-7-12(8-6-11)28(23,24)20-18(22)19-14-10-16(26-3)15(25-2)9-13(14)17(21)27-4/h5-10H,1-4H3,(H2,19,20,22)
InChIKey LWSCKPLKVDNUCG-UHFFFAOYSA-N
Molecular Weight 408.425 g/mol
SMILES N(C1=C(C=C(C(=C1)OC)OC)C(=O)OC)C(NS(C=1C=CC(=CC1)C)(=O)=O)=O