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acetamide, 2-[[(4-bromophenyl)sulfonyl](phenylmethyl)amino]-N-(2-methylphenyl)-
SpectraBase Compound ID DT5TG4XJALE
InChI InChI=1S/C22H21BrN2O3S/c1-17-7-5-6-10-21(17)24-22(26)16-25(15-18-8-3-2-4-9-18)29(27,28)20-13-11-19(23)12-14-20/h2-14H,15-16H2,1H3,(H,24,26)
InChIKey FALNUICOZPBDIF-UHFFFAOYSA-N
Mol Weight 473.39 g/mol
Molecular Formula C22H21BrN2O3S
Exact Mass 472.045627 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5CBqL0ig9nK
Name Acetamide, 2-[[(4-bromophenyl)sulfonyl](phenylmethyl)amino]-N-(2-methylphenyl)-
Comments Computed using HOSE algorithm
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Exact Mass 472.045626715 u
Formula C22H21BrN2O3S
InChI InChI=1S/C22H21BrN2O3S/c1-17-7-5-6-10-21(17)24-22(26)16-25(15-18-8-3-2-4-9-18)29(27,28)20-13-11-19(23)12-14-20/h2-14H,15-16H2,1H3,(H,24,26)
InChIKey FALNUICOZPBDIF-UHFFFAOYSA-N
Molecular Weight 473.385 g/mol
SMILES N(C(CN(S(C=1C=CC(=CC1)Br)(=O)=O)CC=1C=CC=CC1)=O)C=1C(C)=CC=CC1