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acetamide, 2-[[(4-bromophenyl)sulfonyl](phenylmethyl)amino]-N-(4-pyridinylmethyl)-
SpectraBase Compound ID 6TmickvLCX0
InChI InChI=1S/C21H20BrN3O3S/c22-19-6-8-20(9-7-19)29(27,28)25(15-18-4-2-1-3-5-18)16-21(26)24-14-17-10-12-23-13-11-17/h1-13H,14-16H2,(H,24,26)
InChIKey SIMWVJMIHSZTKC-UHFFFAOYSA-N
Mol Weight 474.37 g/mol
Molecular Formula C21H20BrN3O3S
Exact Mass 473.040876 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID F89AU2iYUOT
Name Acetamide, 2-[[(4-bromophenyl)sulfonyl](phenylmethyl)amino]-N-(4-pyridinylmethyl)-
Comments Computed using HOSE algorithm
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Exact Mass 473.040875687 u
Formula C21H20BrN3O3S
InChI InChI=1S/C21H20BrN3O3S/c22-19-6-8-20(9-7-19)29(27,28)25(15-18-4-2-1-3-5-18)16-21(26)24-14-17-10-12-23-13-11-17/h1-13H,14-16H2,(H,24,26)
InChIKey SIMWVJMIHSZTKC-UHFFFAOYSA-N
Molecular Weight 474.373 g/mol
SMILES N(C(CN(S(C1=CC=C(C=C1)Br)(=O)=O)CC=1C=CC=CC1)=O)CC1=CC=NC=C1