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Acetamide, N-[2-[4-(4-cyanomethylphenylsulfamoyl)phenyl]ethyl]-
SpectraBase Compound ID JrXJGRFnyWO
InChI InChI=1S/C18H19N3O3S/c1-14(22)20-13-11-16-4-8-18(9-5-16)25(23,24)21-17-6-2-15(3-7-17)10-12-19/h2-9,21H,10-11,13H2,1H3,(H,20,22)
InChIKey FZBSMOCEPVNXAG-UHFFFAOYSA-N
Mol Weight 357.43 g/mol
Molecular Formula C18H19N3O3S
Exact Mass 357.114713 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 29dYNiMJa4a
Name Acetamide, N-[2-[4-(4-cyanomethylphenylsulfamoyl)phenyl]ethyl]-
Comments Computed using HOSE algorithm
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Exact Mass 357.114712655 u
Formula C18H19N3O3S
InChI InChI=1S/C18H19N3O3S/c1-14(22)20-13-11-16-4-8-18(9-5-16)25(23,24)21-17-6-2-15(3-7-17)10-12-19/h2-9,21H,10-11,13H2,1H3,(H,20,22)
InChIKey FZBSMOCEPVNXAG-UHFFFAOYSA-N
Molecular Weight 357.428 g/mol
SMILES C1=C(C=CC(=C1)S(NC1=CC=C(C=C1)CC#N)(=O)=O)CCNC(C)=O