![3-piperidinecarboxamide, 1-[(4-methoxyphenyl)sulfonyl]-N-[3-oxo-3-[(2-phenylethyl)amino]propyl]-](/api/spectrum/J1ydrZpFKm2/structure.png?h=300&w=458 "3-piperidinecarboxamide, 1-[(4-methoxyphenyl)sulfonyl]-N-[3-oxo-3-[(2-phenylethyl)amino]propyl]-")
| SpectraBase Compound ID | 8Y804VeT0gd |
|---|---|
| InChI | InChI=1S/C24H31N3O5S/c1-32-21-9-11-22(12-10-21)33(30,31)27-17-5-8-20(18-27)24(29)26-16-14-23(28)25-15-13-19-6-3-2-4-7-19/h2-4,6-7,9-12,20H,5,8,13-18H2,1H3,(H,25,28)(H,26,29) |
| InChIKey | NSQUDCDSFFFISA-UHFFFAOYSA-N |
| Mol Weight | 473.59 g/mol |
| Molecular Formula | C24H31N3O5S |
| Exact Mass | 473.198442 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | J1ydrZpFKm2 |
|---|---|
| Name | 3-Piperidinecarboxamide, 1-[(4-methoxyphenyl)sulfonyl]-N-[3-oxo-3-[(2-phenylethyl)amino]propyl]- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 473.198442279 u |
| Formula | C24H31N3O5S |
| InChI | InChI=1S/C24H31N3O5S/c1-32-21-9-11-22(12-10-21)33(30,31)27-17-5-8-20(18-27)24(29)26-16-14-23(28)25-15-13-19-6-3-2-4-7-19/h2-4,6-7,9-12,20H,5,8,13-18H2,1H3,(H,25,28)(H,26,29) |
| InChIKey | NSQUDCDSFFFISA-UHFFFAOYSA-N |
| Molecular Weight | 473.588 g/mol |
| SMILES | N(C(CCNC(C1CN(S(C2=CC=C(C=C2)OC)(=O)=O)CCC1)=O)=O)CCC1=CC=CC=C1 |