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1-piperazineacetamide, 4-[(2,5-dichlorophenyl)sulfonyl]-N-[4-(diethylamino)phenyl]-
SpectraBase Compound ID AbEJgDW1DR2
InChI InChI=1S/C22H28Cl2N4O3S/c1-3-27(4-2)19-8-6-18(7-9-19)25-22(29)16-26-11-13-28(14-12-26)32(30,31)21-15-17(23)5-10-20(21)24/h5-10,15H,3-4,11-14,16H2,1-2H3,(H,25,29)
InChIKey BDFDUBIPUZMMRL-UHFFFAOYSA-N
Mol Weight 499.46 g/mol
Molecular Formula C22H28Cl2N4O3S
Exact Mass 498.125917 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5ganvLGzg9m
Name 1-Piperazineacetamide, 4-[(2,5-dichlorophenyl)sulfonyl]-N-[4-(diethylamino)phenyl]-
Comments Computed using HOSE algorithm
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Exact Mass 498.125917349 u
Formula C22H28Cl2N4O3S
InChI InChI=1S/C22H28Cl2N4O3S/c1-3-27(4-2)19-8-6-18(7-9-19)25-22(29)16-26-11-13-28(14-12-26)32(30,31)21-15-17(23)5-10-20(21)24/h5-10,15H,3-4,11-14,16H2,1-2H3,(H,25,29)
InChIKey BDFDUBIPUZMMRL-UHFFFAOYSA-N
Molecular Weight 499.457 g/mol
SMILES N(C(CN1CCN(S(C=2C=C(Cl)C=CC2Cl)(=O)=O)CC1)=O)C=1C=CC(=CC1)N(CC)CC