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4-methyl-N-{4-[(2-pyrimidinylamino)sulfonyl]phenyl}benzamide

View entire compound with spectra: 2 NMR

4-methyl-N-{4-[(2-pyrimidinylamino)sulfonyl]phenyl}benzamide
SpectraBase Compound ID F72888NSTlt
InChI InChI=1S/C18H16N4O3S/c1-13-3-5-14(6-4-13)17(23)21-15-7-9-16(10-8-15)26(24,25)22-18-19-11-2-12-20-18/h2-12H,1H3,(H,21,23)(H,19,20,22)
InChIKey RPHYRTXSYICSIZ-UHFFFAOYSA-N
Mol Weight 368.41 g/mol
Molecular Formula C18H16N4O3S
Exact Mass 368.094312 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GseEpgohyX2
Name 4-Methyl-N-{4-[(2-pyrimidinylamino)sulfonyl]phenyl}benzamide
Comments Computed using HOSE algorithm
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Exact Mass 368.094311562 u
Formula C18H16N4O3S
InChI InChI=1S/C18H16N4O3S/c1-13-3-5-14(6-4-13)17(23)21-15-7-9-16(10-8-15)26(24,25)22-18-19-11-2-12-20-18/h2-12H,1H3,(H,21,23)(H,19,20,22)
InChIKey RPHYRTXSYICSIZ-UHFFFAOYSA-N
Molecular Weight 368.411 g/mol
SMILES N(C(C1=CC=C(C=C1)C)=O)C1=CC=C(S(NC=2N=CC=CN2)(=O)=O)C=C1