8TY
Summary
| Name: | 1-[4-(methylsulfonyl)piperazin-1-yl]ethan-1-one |
| Formula: | C7 H14 N2 O3 S |
| Formal charge: | 0 |
| Formula weight: | 206.263 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 1-[4-(methylsulfonyl)piperazin-1-yl]ethan-1-one |
| OpenEye OEToolkits | 2.0.6 | 1-(4-methylsulfonylpiperazin-1-yl)ethanone |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | N1(C(C)=O)CCN(CC1)S(C)(=O)=O |
| InChI | InChI | 1.03 | InChI=1S/C7H14N2O3S/c1-7(10)8-3-5-9(6-4-8)13(2,11)12/h3-6H2,1-2H3 |
| InChIKey | InChI | 1.03 | WGERBPBMMIAXAM-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(=O)N1CCN(CC1)[S](C)(=O)=O |
| SMILES | CACTVS | 3.385 | CC(=O)N1CCN(CC1)[S](C)(=O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CC(=O)N1CCN(CC1)S(=O)(=O)C |
| SMILES | OpenEye OEToolkits | 2.0.6 | CC(=O)N1CCN(CC1)S(=O)(=O)C |
