6UO
Summary
| Name: | 2-[(2~{S})-1-(phenylmethyl)sulfonylpiperidin-2-yl]carbonyloxyethyl pyridine-3-carboxylate |
| Formula: | C21 H24 N2 O6 S |
| Formal charge: | 0 |
| Formula weight: | 432.49 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.5 | 2-[(2~{S})-1-(phenylmethyl)sulfonylpiperidin-2-yl]carbonyloxyethyl pyridine-3-carboxylate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C21H24N2O6S/c24-20(18-9-6-11-22-15-18)28-13-14-29-21(25)19-10-4-5-12-23(19)30(26,27)16-17-7-2-1-3-8-17/h1-3,6-9,11,15,19H,4-5,10,12-14,16H2/t19-/m0/s1 |
| InChIKey | InChI | 1.03 | KUWLHSSIHRTCQU-IBGZPJMESA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O=C(OCCOC(=O)c1cccnc1)[C@@H]2CCCCN2[S](=O)(=O)Cc3ccccc3 |
| SMILES | CACTVS | 3.385 | O=C(OCCOC(=O)c1cccnc1)[CH]2CCCCN2[S](=O)(=O)Cc3ccccc3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.5 | c1ccc(cc1)CS(=O)(=O)N2CCCC[C@H]2C(=O)OCCOC(=O)c3cccnc3 |
| SMILES | OpenEye OEToolkits | 2.0.5 | c1ccc(cc1)CS(=O)(=O)N2CCCCC2C(=O)OCCOC(=O)c3cccnc3 |
