UVB
Summary
| Name: | 4-[(3~{S})-3-oxidanylpiperidin-1-yl]sulfonylbenzaldehyde |
| Formula: | C12 H15 N O4 S |
| Formal charge: | 0 |
| Formula weight: | 269.317 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 4-[(3~{S})-3-oxidanylpiperidin-1-yl]sulfonylbenzaldehyde |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C12H15NO4S/c14-9-10-3-5-12(6-4-10)18(16,17)13-7-1-2-11(15)8-13/h3-6,9,11,15H,1-2,7-8H2/t11-/m0/s1 |
| InChIKey | InChI | 1.03 | YDKGHQGIUFOPLS-NSHDSACASA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O[C@H]1CCCN(C1)[S](=O)(=O)c2ccc(C=O)cc2 |
| SMILES | CACTVS | 3.385 | O[CH]1CCCN(C1)[S](=O)(=O)c2ccc(C=O)cc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1C=O)S(=O)(=O)N2CCC[C@@H](C2)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1C=O)S(=O)(=O)N2CCCC(C2)O |
