![N-[4-(aminosulfonyl)phenyl]-2-[(2-cyanoethyl)(methyl)amino]acetamide](/api/spectrum/358VeXXeYNc/structure.png?h=300&w=458 "N-[4-(aminosulfonyl)phenyl]-2-[(2-cyanoethyl)(methyl)amino]acetamide")
| SpectraBase Compound ID | 1EB0YrKV75J |
|---|---|
| InChI | InChI=1S/C12H16N4O3S/c1-16(8-2-7-13)9-12(17)15-10-3-5-11(6-4-10)20(14,18)19/h3-6H,2,8-9H2,1H3,(H,15,17)(H2,14,18,19) |
| InChIKey | MNKBIFFXGIQHAO-UHFFFAOYSA-N |
| Mol Weight | 296.35 g/mol |
| Molecular Formula | C12H16N4O3S |
| Exact Mass | 296.094312 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 358VeXXeYNc |
|---|---|
| Name | N-[4-(Aminosulfonyl)phenyl]-2-[(2-cyanoethyl)(methyl)amino]acetamide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 296.094311562 u |
| Formula | C12H16N4O3S |
| InChI | InChI=1S/C12H16N4O3S/c1-16(8-2-7-13)9-12(17)15-10-3-5-11(6-4-10)20(14,18)19/h3-6H,2,8-9H2,1H3,(H,15,17)(H2,14,18,19) |
| InChIKey | MNKBIFFXGIQHAO-UHFFFAOYSA-N |
| SMILES | N(C(=O)CN(CCC#N)C)C=1C=CC(S(=O)(=O)N)=CC1 |