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benzenepropanamide, N-(2,3-dihydro-1,4-benzodioxin-6-yl)-alpha-[(2-thienylsulfonyl)amino]-
SpectraBase Compound ID 96pssV7fYwq
InChI InChI=1S/C21H20N2O5S2/c24-21(22-16-8-9-18-19(14-16)28-11-10-27-18)17(13-15-5-2-1-3-6-15)23-30(25,26)20-7-4-12-29-20/h1-9,12,14,17,23H,10-11,13H2,(H,22,24)
InChIKey NOPDXLKFMYHSFF-UHFFFAOYSA-N
Mol Weight 444.52 g/mol
Molecular Formula C21H20N2O5S2
Exact Mass 444.081364 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BdUmkWirzu6
Name Benzenepropanamide, N-(2,3-dihydro-1,4-benzodioxin-6-yl)-alpha-[(2-thienylsulfonyl)amino]-
Comments Computed using HOSE algorithm
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Exact Mass 444.081364095 u
Formula C21H20N2O5S2
InChI InChI=1S/C21H20N2O5S2/c24-21(22-16-8-9-18-19(14-16)28-11-10-27-18)17(13-15-5-2-1-3-6-15)23-30(25,26)20-7-4-12-29-20/h1-9,12,14,17,23H,10-11,13H2,(H,22,24)
InChIKey NOPDXLKFMYHSFF-UHFFFAOYSA-N
Molecular Weight 444.520 g/mol
SMILES N(S(C=1SC=CC1)(=O)=O)C(C(NC1=CC=2OCCOC2C=C1)=O)CC=1C=CC=CC1