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N-[1-[(3-(Butyloxyphenyl)aminocarbonyl]-2-phenylethyl]-4-methylbenzenesulfonamide
SpectraBase Compound ID GR03qwWS1Gb
InChI InChI=1S/C25H28N2O4S/c1-3-16-31-22-11-7-10-21(18-22)26-25(28)24(17-20-8-5-4-6-9-20)27-32(29,30)23-14-12-19(2)13-15-23/h4-15,18,24,27H,3,16-17H2,1-2H3,(H,26,28)
InChIKey HPSDKRBFCHZEQM-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 JNTCosdrtrs
Name N-[1-[(3-(Butyloxyphenyl)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/c1-3-16-31-22-11-7-10-21(18-22)26-25(28)24(17-20-8-5-4-6-9-20)27-32(29,30)23-14-12-19(2)13-15-23/h4-15,18,24,27H,3,16-17H2,1-2H3,(H,26,28)
InChIKey HPSDKRBFCHZEQM-UHFFFAOYSA-N
Molecular Weight 452.569 g/mol
SMILES CCCOC1=CC=CC(=C1)NC(C(NS(C1=CC=C(C=C1)C)(=O)=O)CC=1C=CC=CC1)=O