![2-Methylpropyl 3-[[1-[(4-methylphenylsulfonyl)amino]-2-phenylethyl]carbonylamino]benzoate](/api/spectrum/61JymJjUakJ/structure.png?h=300&w=458 "2-Methylpropyl 3-[[1-[(4-methylphenylsulfonyl)amino]-2-phenylethyl]carbonylamino]benzoate")
| SpectraBase Compound ID | 2gIh6QrtISR |
|---|---|
| InChI | InChI=1S/C27H30N2O5S/c1-19(2)18-34-27(31)22-10-7-11-23(17-22)28-26(30)25(16-21-8-5-4-6-9-21)29-35(32,33)24-14-12-20(3)13-15-24/h4-15,17,19,25,29H,16,18H2,1-3H3,(H,28,30) |
| InChIKey | UOZXSMVVFDMFFK-UHFFFAOYSA-N |
| Mol Weight | 494.61 g/mol |
| Molecular Formula | C27H30N2O5S |
| Exact Mass | 494.187543 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 61JymJjUakJ |
|---|---|
| Name | 2-Methylpropyl 3-[[1-[(4-methylphenylsulfonyl)amino]-2-phenylethyl]carbonylamino]benzoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 494.187543243 u |
| Formula | C27H30N2O5S |
| InChI | InChI=1S/C27H30N2O5S/c1-19(2)18-34-27(31)22-10-7-11-23(17-22)28-26(30)25(16-21-8-5-4-6-9-21)29-35(32,33)24-14-12-20(3)13-15-24/h4-15,17,19,25,29H,16,18H2,1-3H3,(H,28,30) |
| InChIKey | UOZXSMVVFDMFFK-UHFFFAOYSA-N |
| Molecular Weight | 494.606 g/mol |
| SMILES | CC(C)COC(C=1C=CC=C(NC(C(NS(C2=CC=C(C=C2)C)(=O)=O)CC2=CC=CC=C2)=O)C1)=O |