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3-methyl-N-(4-{[(4-methylphenyl)sulfonyl]amino}phenyl)benzamide
SpectraBase Compound ID 7YlQ1c1X9Ld
InChI InChI=1S/C21H20N2O3S/c1-15-6-12-20(13-7-15)27(25,26)23-19-10-8-18(9-11-19)22-21(24)17-5-3-4-16(2)14-17/h3-14,23H,1-2H3,(H,22,24)
InChIKey QBFCDQROUOLAGH-UHFFFAOYSA-N
Mol Weight 380.46 g/mol
Molecular Formula C21H20N2O3S
Exact Mass 380.119464 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1knfyr4gjeJ
Name 3-Methyl-N-(4-{[(4-methylphenyl)sulfonyl]amino}phenyl)benzamide
Comments Computed using HOSE algorithm
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Exact Mass 380.119463683 u
Formula C21H20N2O3S
InChI InChI=1S/C21H20N2O3S/c1-15-6-12-20(13-7-15)27(25,26)23-19-10-8-18(9-11-19)22-21(24)17-5-3-4-16(2)14-17/h3-14,23H,1-2H3,(H,22,24)
InChIKey QBFCDQROUOLAGH-UHFFFAOYSA-N
Molecular Weight 380.462 g/mol
SMILES N(S(C1=CC=C(C=C1)C)(=O)=O)C=1C=CC(NC(C=2C=C(C)C=CC2)=O)=CC1