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benzenepropanamide, N-(4-ethylphenyl)-alpha-[(2-thienylsulfonyl)amino]-
SpectraBase Compound ID 4Qz2hcbY9hP
InChI InChI=1S/C21H22N2O3S2/c1-2-16-10-12-18(13-11-16)22-21(24)19(15-17-7-4-3-5-8-17)23-28(25,26)20-9-6-14-27-20/h3-14,19,23H,2,15H2,1H3,(H,22,24)
InChIKey LBXFXXBEIQZREZ-UHFFFAOYSA-N
Mol Weight 414.54 g/mol
Molecular Formula C21H22N2O3S2
Exact Mass 414.107185 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BuekJFfA5F9
Name Benzenepropanamide, N-(4-ethylphenyl)-alpha-[(2-thienylsulfonyl)amino]-
Comments Computed using HOSE algorithm
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Exact Mass 414.107184921 u
Formula C21H22N2O3S2
InChI InChI=1S/C21H22N2O3S2/c1-2-16-10-12-18(13-11-16)22-21(24)19(15-17-7-4-3-5-8-17)23-28(25,26)20-9-6-14-27-20/h3-14,19,23H,2,15H2,1H3,(H,22,24)
InChIKey LBXFXXBEIQZREZ-UHFFFAOYSA-N
Molecular Weight 414.538 g/mol
SMILES N(S(C=1SC=CC1)(=O)=O)C(C(NC1=CC=C(C=C1)CC)=O)CC1=CC=CC=C1