T3V
Summary
| Name: | 1-{4-[(2-fluorophenyl)sulfonyl]piperazin-1-yl}ethan-1-one |
| Formula: | C12 H15 F N2 O3 S |
| Formal charge: | 0 |
| Formula weight: | 286.323 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 1-{4-[(2-fluorophenyl)sulfonyl]piperazin-1-yl}ethan-1-one |
| OpenEye OEToolkits | 2.0.7 | 1-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]ethanone |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | N2(CCN(S(c1ccccc1F)(=O)=O)CC2)C(=O)C |
| InChI | InChI | 1.03 | InChI=1S/C12H15FN2O3S/c1-10(16)14-6-8-15(9-7-14)19(17,18)12-5-3-2-4-11(12)13/h2-5H,6-9H2,1H3 |
| InChIKey | InChI | 1.03 | IMFVSIUUYBHKNQ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(=O)N1CCN(CC1)[S](=O)(=O)c2ccccc2F |
| SMILES | CACTVS | 3.385 | CC(=O)N1CCN(CC1)[S](=O)(=O)c2ccccc2F |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(=O)N1CCN(CC1)S(=O)(=O)c2ccccc2F |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(=O)N1CCN(CC1)S(=O)(=O)c2ccccc2F |
