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(2E)-3-(2-chlorophenyl)-2-phenyl-N-[4-(1-piperidinylsulfonyl)phenyl]-2-propenamide
SpectraBase Compound ID 58pBd6Z615h
InChI InChI=1S/C26H25ClN2O3S/c27-25-12-6-5-11-21(25)19-24(20-9-3-1-4-10-20)26(30)28-22-13-15-23(16-14-22)33(31,32)29-17-7-2-8-18-29/h1,3-6,9-16,19H,2,7-8,17-18H2,(H,28,30)/b24-19+
InChIKey FCDRZFQPNAXYPF-LYBHJNIJSA-N
Mol Weight 481.01 g/mol
Molecular Formula C26H25ClN2O3S
Exact Mass 480.127442 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GbLpzou8b7p
Name (2E)-3-(2-Chlorophenyl)-2-phenyl-N-[4-(1-piperidinylsulfonyl)phenyl]-2-propenamide
Comments Computed using HOSE algorithm
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Exact Mass 480.127441544 u
Formula C26H25ClN2O3S
InChI InChI=1S/C26H25ClN2O3S/c27-25-12-6-5-11-21(25)19-24(20-9-3-1-4-10-20)26(30)28-22-13-15-23(16-14-22)33(31,32)29-17-7-2-8-18-29/h1,3-6,9-16,19H,2,7-8,17-18H2,(H,28,30)/b24-19+
InChIKey FCDRZFQPNAXYPF-LYBHJNIJSA-N
Molecular Weight 481.010 g/mol
SMILES N(C(\C(=C\C1=C(Cl)C=CC=C1)C1=CC=CC=C1)=O)C=1C=CC(S(N2CCCCC2)(=O)=O)=CC1