![3-piperidinecarboxamide, 1-[(4-fluorophenyl)sulfonyl]-N-[3-[[(2-methoxyphenyl)methyl]amino]-3-oxopropyl]-](/api/spectrum/9osNW0SBs6U/structure.png?h=300&w=458 "3-piperidinecarboxamide, 1-[(4-fluorophenyl)sulfonyl]-N-[3-[[(2-methoxyphenyl)methyl]amino]-3-oxopropyl]-")
| SpectraBase Compound ID | FkqorlOx39H |
|---|---|
| InChI | InChI=1S/C23H28FN3O5S/c1-32-21-7-3-2-5-17(21)15-26-22(28)12-13-25-23(29)18-6-4-14-27(16-18)33(30,31)20-10-8-19(24)9-11-20/h2-3,5,7-11,18H,4,6,12-16H2,1H3,(H,25,29)(H,26,28) |
| InChIKey | UYIDMLRPLWSMAH-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 | 9osNW0SBs6U |
|---|---|
| Name | 3-Piperidinecarboxamide, 1-[(4-fluorophenyl)sulfonyl]-N-[3-[[(2-methoxyphenyl)methyl]amino]-3-oxopropyl]- |
| 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/c1-32-21-7-3-2-5-17(21)15-26-22(28)12-13-25-23(29)18-6-4-14-27(16-18)33(30,31)20-10-8-19(24)9-11-20/h2-3,5,7-11,18H,4,6,12-16H2,1H3,(H,25,29)(H,26,28) |
| InChIKey | UYIDMLRPLWSMAH-UHFFFAOYSA-N |
| Molecular Weight | 477.551 g/mol |
| SMILES | N(C(CCNC(C1CN(S(C2=CC=C(C=C2)F)(=O)=O)CCC1)=O)=O)CC1=C(OC)C=CC=C1 |