| SpectraBase Compound ID | G19BNSwb0gu |
|---|---|
| InChI | InChI=1S/C20H21N3O3S2/c24-20(22-13-17-8-4-12-27-17)16-7-3-11-23(14-16)28(25,26)18-9-1-5-15-6-2-10-21-19(15)18/h1-2,4-6,8-10,12,16H,3,7,11,13-14H2,(H,22,24) |
| InChIKey | UWAHILAOAGGIEQ-UHFFFAOYSA-N |
| Mol Weight | 415.53 g/mol |
| Molecular Formula | C20H21N3O3S2 |
| Exact Mass | 415.102434 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Ap2O6UCm3Tz |
|---|---|
| Name | 1-(Quinolin-8-ylsulfonyl)-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 | 415.102433893 u |
| Formula | C20H21N3O3S2 |
| InChI | InChI=1S/C20H21N3O3S2/c24-20(22-13-17-8-4-12-27-17)16-7-3-11-23(14-16)28(25,26)18-9-1-5-15-6-2-10-21-19(15)18/h1-2,4-6,8-10,12,16H,3,7,11,13-14H2,(H,22,24) |
| InChIKey | UWAHILAOAGGIEQ-UHFFFAOYSA-N |
| Molecular Weight | 415.526 g/mol |
| SMILES | C1N(CCCC1C(=O)NCC1=CC=CS1)S(=O)(=O)C=1C=CC=C2C1N=CC=C2 |