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Propyl 3-[[1-[(4-methylphenylsulfonyl)amino]-2-phenylethyl]carbonylamino]benzoate

View entire compound with spectra: 1 NMR

Propyl 3-[[1-[(4-methylphenylsulfonyl)amino]-2-phenylethyl]carbonylamino]benzoate
SpectraBase Compound ID 9lGV4AJoOec
InChI InChI=1S/C26H28N2O5S/c1-3-16-33-26(30)21-10-7-11-22(18-21)27-25(29)24(17-20-8-5-4-6-9-20)28-34(31,32)23-14-12-19(2)13-15-23/h4-15,18,24,28H,3,16-17H2,1-2H3,(H,27,29)
InChIKey YIHLFCJHECRLHJ-UHFFFAOYSA-N
Mol Weight 480.58 g/mol
Molecular Formula C26H28N2O5S
Exact Mass 480.171893 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GsF3vKjCBrH
Name Propyl 3-[[1-[(4-methylphenylsulfonyl)amino]-2-phenylethyl]carbonylamino]benzoate
Comments Computed using HOSE algorithm
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Exact Mass 480.171893179 u
Formula C26H28N2O5S
InChI InChI=1S/C26H28N2O5S/c1-3-16-33-26(30)21-10-7-11-22(18-21)27-25(29)24(17-20-8-5-4-6-9-20)28-34(31,32)23-14-12-19(2)13-15-23/h4-15,18,24,28H,3,16-17H2,1-2H3,(H,27,29)
InChIKey YIHLFCJHECRLHJ-UHFFFAOYSA-N
Molecular Weight 480.579 g/mol
SMILES CCCOC(C1=CC=CC(NC(C(NS(C2=CC=C(C=C2)C)(=O)=O)CC=2C=CC=CC2)=O)=C1)=O