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4-Nitro-N-[4-(toluene-4-sulfonylamino)-phenyl]-benzamide

View entire compound with spectra: 1 NMR

4-Nitro-N-[4-(toluene-4-sulfonylamino)-phenyl]-benzamide
SpectraBase Compound ID 30lMQV6NZtN
InChI InChI=1S/C20H17N3O5S/c1-14-2-12-19(13-3-14)29(27,28)22-17-8-6-16(7-9-17)21-20(24)15-4-10-18(11-5-15)23(25)26/h2-13,22H,1H3,(H,21,24)
InChIKey JKNDIGYSNUGFKR-UHFFFAOYSA-N
Mol Weight 411.43 g/mol
Molecular Formula C20H17N3O5S
Exact Mass 411.088892 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID ClDQ2IBssz2
Name 4-Nitro-N-[4-(toluene-4-sulfonylamino)-phenyl]-benzamide
Comments Computed using HOSE algorithm
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Exact Mass 411.088891828 u
Formula C20H17N3O5S
InChI InChI=1S/C20H17N3O5S/c1-14-2-12-19(13-3-14)29(27,28)22-17-8-6-16(7-9-17)21-20(24)15-4-10-18(11-5-15)23(25)26/h2-13,22H,1H3,(H,21,24)
InChIKey JKNDIGYSNUGFKR-UHFFFAOYSA-N
Molecular Weight 411.432 g/mol
SMILES C1(S(=O)(=O)NC2=CC=C(NC(C3=CC=C(C=C3)N(=O)=O)=O)C=C2)=CC=C(C=C1)C