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acetamide, 2-[[(4-bromophenyl)sulfonyl](phenylmethyl)amino]-N-(3-methoxyphenyl)-
SpectraBase Compound ID DcCsqyrb5Vy
InChI InChI=1S/C22H21BrN2O4S/c1-29-20-9-5-8-19(14-20)24-22(26)16-25(15-17-6-3-2-4-7-17)30(27,28)21-12-10-18(23)11-13-21/h2-14H,15-16H2,1H3,(H,24,26)
InChIKey JFVPMRRAUUBHGE-UHFFFAOYSA-N
Mol Weight 489.38 g/mol
Molecular Formula C22H21BrN2O4S
Exact Mass 488.040541 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GVzUr22Qf4H
Name Acetamide, 2-[[(4-bromophenyl)sulfonyl](phenylmethyl)amino]-N-(3-methoxyphenyl)-
Comments Computed using HOSE algorithm
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Exact Mass 488.040541334 u
Formula C22H21BrN2O4S
InChI InChI=1S/C22H21BrN2O4S/c1-29-20-9-5-8-19(14-20)24-22(26)16-25(15-17-6-3-2-4-7-17)30(27,28)21-12-10-18(23)11-13-21/h2-14H,15-16H2,1H3,(H,24,26)
InChIKey JFVPMRRAUUBHGE-UHFFFAOYSA-N
Molecular Weight 489.384 g/mol
SMILES N(C(CN(S(C=1C=CC(=CC1)Br)(=O)=O)CC=1C=CC=CC1)=O)C=1C=C(OC)C=CC1