| PDB CCD ID: | UVB |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C12 H15 N O4 S |
| InChI: | 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: | YDKGHQGIUFOPLS-NSHDSACASA-N |
| SMILES: | | Software | SMILES |
|---|
| OpenEye OEToolkits 2.0.7 | c1cc(ccc1C=O)S(=O)(=O)N2CCCC(C2)O | | OpenEye OEToolkits 2.0.7 | c1cc(ccc1C=O)S(=O)(=O)N2CCC[C@@H](C2)O | | CACTVS 3.385 | O[CH]1CCCN(C1)[S](=O)(=O)c2ccc(C=O)cc2 | | CACTVS 3.385 | O[C@H]1CCCN(C1)[S](=O)(=O)c2ccc(C=O)cc2 |
|
| Name: | 4-[(3~{S})-3-oxidanylpiperidin-1-yl]sulfonylbenzaldehyde |
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