![3-piperidinecarboxamide, 1-[(4-fluorophenyl)sulfonyl]-N-[(1S)-2-[[(2-methoxyphenyl)methyl]amino]-1-methyl-2-oxoethyl]-](/api/spectrum/2yUgHPsBW8l/structure.png?h=300&w=458 "3-piperidinecarboxamide, 1-[(4-fluorophenyl)sulfonyl]-N-[(1S)-2-[[(2-methoxyphenyl)methyl]amino]-1-methyl-2-oxoethyl]-")
| SpectraBase Compound ID | DKj4izGM2HE |
|---|---|
| InChI | InChI=1S/C23H28FN3O5S/c1-16(22(28)25-14-17-6-3-4-8-21(17)32-2)26-23(29)18-7-5-13-27(15-18)33(30,31)20-11-9-19(24)10-12-20/h3-4,6,8-12,16,18H,5,7,13-15H2,1-2H3,(H,25,28)(H,26,29) |
| InChIKey | PCUFMVLAYGSWDU-UHFFFAOYSA-N |
| Mol Weight | 477.55 g/mol |
| Molecular Formula | C23H28FN3O5S |
| Exact Mass | 477.17337 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2yUgHPsBW8l |
|---|---|
| Name | 3-Piperidinecarboxamide, 1-[(4-fluorophenyl)sulfonyl]-N-[(1S)-2-[[(2-methoxyphenyl)methyl]amino]-1-methyl-2-oxoethyl]- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 477.173370346 u |
| Formula | C23H28FN3O5S |
| InChI | InChI=1S/C23H28FN3O5S/c1-16(22(28)25-14-17-6-3-4-8-21(17)32-2)26-23(29)18-7-5-13-27(15-18)33(30,31)20-11-9-19(24)10-12-20/h3-4,6,8-12,16,18H,5,7,13-15H2,1-2H3,(H,25,28)(H,26,29) |
| InChIKey | PCUFMVLAYGSWDU-UHFFFAOYSA-N |
| Molecular Weight | 477.551 g/mol |
| SMILES | N(C(C(NC(C1CN(S(C2=CC=C(C=C2)F)(=O)=O)CCC1)=O)C)=O)CC=1C(OC)=CC=CC1 |