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benzamide, 4-methoxy-N-[4-[4-(4-morpholinylsulfonyl)phenyl]-2-thiazolyl]-
SpectraBase Compound ID 4nYQvL04IvH
InChI InChI=1S/C21H21N3O5S2/c1-28-17-6-2-16(3-7-17)20(25)23-21-22-19(14-30-21)15-4-8-18(9-5-15)31(26,27)24-10-12-29-13-11-24/h2-9,14H,10-13H2,1H3,(H,22,23,25)
InChIKey DOIWLHAIMDZKAB-UHFFFAOYSA-N
Mol Weight 459.54 g/mol
Molecular Formula C21H21N3O5S2
Exact Mass 459.092263 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID A62JCqtCF8
Name Benzamide, 4-methoxy-N-[4-[4-(4-morpholinylsulfonyl)phenyl]-2-thiazolyl]-
Comments Computed using HOSE algorithm
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Exact Mass 459.092263131 u
Formula C21H21N3O5S2
InChI InChI=1S/C21H21N3O5S2/c1-28-17-6-2-16(3-7-17)20(25)23-21-22-19(14-30-21)15-4-8-18(9-5-15)31(26,27)24-10-12-29-13-11-24/h2-9,14H,10-13H2,1H3,(H,22,23,25)
InChIKey DOIWLHAIMDZKAB-UHFFFAOYSA-N
Molecular Weight 459.535 g/mol
SMILES N(C1=NC(C=2C=CC(S(N3CCOCC3)(=O)=O)=CC2)=CS1)C(C=1C=CC(=CC1)OC)=O