W3Z
Summary
| Name: | ethyl (3S)-1-(methanesulfonyl)piperidine-3-carboxylate |
| Formula: | C9 H17 N O4 S |
| Formal charge: | 0 |
| Formula weight: | 235.301 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | ethyl (3S)-1-(methanesulfonyl)piperidine-3-carboxylate |
| OpenEye OEToolkits | 2.0.7 | ethyl (3~{S})-1-methylsulfonylpiperidine-3-carboxylate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=S(C)(=O)N1CCCC(C1)C(=O)OCC |
| InChI | InChI | 1.06 | InChI=1S/C9H17NO4S/c1-3-14-9(11)8-5-4-6-10(7-8)15(2,12)13/h8H,3-7H2,1-2H3/t8-/m0/s1 |
| InChIKey | InChI | 1.06 | RERFXHAKRMBYIH-QMMMGPOBSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCOC(=O)[C@H]1CCCN(C1)[S](C)(=O)=O |
| SMILES | CACTVS | 3.385 | CCOC(=O)[CH]1CCCN(C1)[S](C)(=O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCOC(=O)[C@H]1CCCN(C1)S(=O)(=O)C |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCOC(=O)C1CCCN(C1)S(=O)(=O)C |
