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2-[(4-chlorobenzyl)(phenylsulfonyl)amino]-N-(2,6-dichlorophenyl)acetamide
SpectraBase Compound ID 8vHoK5lMPhz
InChI InChI=1S/C21H17Cl3N2O3S/c22-16-11-9-15(10-12-16)13-26(30(28,29)17-5-2-1-3-6-17)14-20(27)25-21-18(23)7-4-8-19(21)24/h1-12H,13-14H2,(H,25,27)
InChIKey RPYXGDIRVYYKSJ-UHFFFAOYSA-N
Mol Weight 483.8 g/mol
Molecular Formula C21H17Cl3N2O3S
Exact Mass 482.002547 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5YEkw0XG6ED
Name 2-[(4-Chlorobenzyl)(phenylsulfonyl)amino]-N-(2,6-dichlorophenyl)acetamide
Comments Computed using HOSE algorithm
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Exact Mass 482.002546686 u
Formula C21H17Cl3N2O3S
InChI InChI=1S/C21H17Cl3N2O3S/c22-16-11-9-15(10-12-16)13-26(30(28,29)17-5-2-1-3-6-17)14-20(27)25-21-18(23)7-4-8-19(21)24/h1-12H,13-14H2,(H,25,27)
InChIKey RPYXGDIRVYYKSJ-UHFFFAOYSA-N
Molecular Weight 483.797 g/mol
SMILES N(C1=C(Cl)C=CC=C1Cl)C(CN(S(=O)(=O)C1=CC=CC=C1)CC=1C=CC(=CC1)Cl)=O