![1-[(4-methoxyphenyl)sulfonyl]-N-{(1S)-1-methyl-2-oxo-2-[(2-pyridinylmethyl)amino]ethyl}-4-piperidinecarboxamide](/api/spectrum/1twMN3jVBwb/structure.png?h=300&w=458 "1-[(4-methoxyphenyl)sulfonyl]-N-{(1S)-1-methyl-2-oxo-2-[(2-pyridinylmethyl)amino]ethyl}-4-piperidinecarboxamide")
| SpectraBase Compound ID | 4CCvFYGJZSl |
|---|---|
| InChI | InChI=1S/C22H28N4O5S/c1-16(21(27)24-15-18-5-3-4-12-23-18)25-22(28)17-10-13-26(14-11-17)32(29,30)20-8-6-19(31-2)7-9-20/h3-9,12,16-17H,10-11,13-15H2,1-2H3,(H,24,27)(H,25,28) |
| InChIKey | FXEBKIQLVHOBMR-UHFFFAOYSA-N |
| Mol Weight | 460.55 g/mol |
| Molecular Formula | C22H28N4O5S |
| Exact Mass | 460.178041 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1twMN3jVBwb |
|---|---|
| Name | 1-[(4-Methoxyphenyl)sulfonyl]-N-{(1S)-1-methyl-2-oxo-2-[(2-pyridinylmethyl)amino]ethyl}-4-piperidinecarboxamide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 460.178041187 u |
| Formula | C22H28N4O5S |
| InChI | InChI=1S/C22H28N4O5S/c1-16(21(27)24-15-18-5-3-4-12-23-18)25-22(28)17-10-13-26(14-11-17)32(29,30)20-8-6-19(31-2)7-9-20/h3-9,12,16-17H,10-11,13-15H2,1-2H3,(H,24,27)(H,25,28) |
| InChIKey | FXEBKIQLVHOBMR-UHFFFAOYSA-N |
| Molecular Weight | 460.549 g/mol |
| SMILES | N(C(C(NC(C1CCN(S(C=2C=CC(=CC2)OC)(=O)=O)CC1)=O)C)=O)CC=1N=CC=CC1 |