| SpectraBase Compound ID | HLOzzPOCZ48 |
|---|---|
| InChI | InChI=1S/C17H20N2O3S2/c20-17(18-12-15-7-5-11-23-15)14-6-4-10-19(13-14)24(21,22)16-8-2-1-3-9-16/h1-3,5,7-9,11,14H,4,6,10,12-13H2,(H,18,20) |
| InChIKey | JFDGMTWIRRTYDW-UHFFFAOYSA-N |
| Mol Weight | 364.48 g/mol |
| Molecular Formula | C17H20N2O3S2 |
| Exact Mass | 364.091535 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 67AfTbtsQTd |
|---|---|
| Name | 1-(Phenylsulfonyl)-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 364.091534857 u |
| Formula | C17H20N2O3S2 |
| InChI | InChI=1S/C17H20N2O3S2/c20-17(18-12-15-7-5-11-23-15)14-6-4-10-19(13-14)24(21,22)16-8-2-1-3-9-16/h1-3,5,7-9,11,14H,4,6,10,12-13H2,(H,18,20) |
| InChIKey | JFDGMTWIRRTYDW-UHFFFAOYSA-N |
| Molecular Weight | 364.478 g/mol |
| SMILES | C1N(CCCC1C(=O)NCC1=CC=CS1)S(=O)(=O)C1=CC=CC=C1 |