UWK
Summary
| Name: | 4-[(3~{R})-3-methoxypiperidin-1-yl]sulfonylbenzaldehyde |
| Formula: | C13 H17 N O4 S |
| Formal charge: | 0 |
| Formula weight: | 283.343 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 4-[(3~{R})-3-methoxypiperidin-1-yl]sulfonylbenzaldehyde |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C13H17NO4S/c1-18-12-3-2-8-14(9-12)19(16,17)13-6-4-11(10-15)5-7-13/h4-7,10,12H,2-3,8-9H2,1H3/t12-/m1/s1 |
| InChIKey | InChI | 1.03 | LBMUPTIJLJCKCH-GFCCVEGCSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CO[C@@H]1CCCN(C1)[S](=O)(=O)c2ccc(C=O)cc2 |
| SMILES | CACTVS | 3.385 | CO[CH]1CCCN(C1)[S](=O)(=O)c2ccc(C=O)cc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CO[C@@H]1CCCN(C1)S(=O)(=O)c2ccc(cc2)C=O |
| SMILES | OpenEye OEToolkits | 2.0.7 | COC1CCCN(C1)S(=O)(=O)c2ccc(cc2)C=O |
