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N-[1-[[3-(1-Hydroxypropyl)phenyl]aminocarbonyl]-2-phenylethyl]-4-methylbenzenesulfonamide
SpectraBase Compound ID CxmS6eCQhdK
InChI InChI=1S/C25H28N2O4S/c1-3-24(28)20-10-7-11-21(17-20)26-25(29)23(16-19-8-5-4-6-9-19)27-32(30,31)22-14-12-18(2)13-15-22/h4-15,17,23-24,27-28H,3,16H2,1-2H3,(H,26,29)
InChIKey RNICIPBUQLPOOY-UHFFFAOYSA-N
Mol Weight 452.57 g/mol
Molecular Formula C25H28N2O4S
Exact Mass 452.176979 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CsNa6wsC6hg
Name N-[1-[[3-(1-Hydroxypropyl)phenyl]aminocarbonyl]-2-phenylethyl]-4-methylbenzenesulfonamide
Comments Computed using HOSE algorithm
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Exact Mass 452.176978560 u
Formula C25H28N2O4S
InChI InChI=1S/C25H28N2O4S/c1-3-24(28)20-10-7-11-21(17-20)26-25(29)23(16-19-8-5-4-6-9-19)27-32(30,31)22-14-12-18(2)13-15-22/h4-15,17,23-24,27-28H,3,16H2,1-2H3,(H,26,29)
InChIKey RNICIPBUQLPOOY-UHFFFAOYSA-N
Molecular Weight 452.569 g/mol
SMILES C1(CC(NS(C=2C=CC(C)=CC2)(=O)=O)C(=O)NC2=CC(C(CC)O)=CC=C2)=CC=CC=C1