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2-[methyl(p-tolylsulfonyl)amino]-N-[(E)-(2-nitrophenyl)methyleneamino]acetamide
SpectraBase Compound ID hhIKdwrrXf
InChI InChI=1S/C17H18N4O5S/c1-13-7-9-15(10-8-13)27(25,26)20(2)12-17(22)19-18-11-14-5-3-4-6-16(14)21(23)24/h3-11H,12H2,1-2H3,(H,19,22)/b18-11+
InChIKey BTTAVFHKGBYRKZ-WOJGMQOQSA-N
Mol Weight 390.41 g/mol
Molecular Formula C17H18N4O5S
Exact Mass 390.099791 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FSIfH4Rzfkz
Name 2-[Methyl(p-tolylsulfonyl)amino]-N-[(E)-(2-nitrophenyl)methyleneamino]acetamide
Comments Computed using HOSE algorithm
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Exact Mass 390.099790865 u
Formula C17H18N4O5S
InChI InChI=1S/C17H18N4O5S/c1-13-7-9-15(10-8-13)27(25,26)20(2)12-17(22)19-18-11-14-5-3-4-6-16(14)21(23)24/h3-11H,12H2,1-2H3,(H,19,22)/b18-11+
InChIKey BTTAVFHKGBYRKZ-WOJGMQOQSA-N
Molecular Weight 390.414 g/mol
SMILES C1=CC=C(N(=O)=O)C(\C=N\NC(CN(S(C2=CC=C(C=C2)C)(=O)=O)C)=O)=C1