T8D
Summary
| Name: | 1-{4-[(5-chlorothiophen-2-yl)sulfonyl]piperazin-1-yl}ethan-1-one |
| Formula: | C10 H13 Cl N2 O3 S2 |
| Formal charge: | 0 |
| Formula weight: | 308.805 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 1-{4-[(5-chlorothiophen-2-yl)sulfonyl]piperazin-1-yl}ethan-1-one |
| OpenEye OEToolkits | 2.0.7 | 1-[4-(5-chloranylthiophen-2-yl)sulfonylpiperazin-1-yl]ethanone |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | N1(CCN(CC1)C(C)=O)S(c2ccc(s2)Cl)(=O)=O |
| InChI | InChI | 1.03 | InChI=1S/C10H13ClN2O3S2/c1-8(14)12-4-6-13(7-5-12)18(15,16)10-3-2-9(11)17-10/h2-3H,4-7H2,1H3 |
| InChIKey | InChI | 1.03 | LFGOPTUHDODAIB-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(=O)N1CCN(CC1)[S](=O)(=O)c2sc(Cl)cc2 |
| SMILES | CACTVS | 3.385 | CC(=O)N1CCN(CC1)[S](=O)(=O)c2sc(Cl)cc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(=O)N1CCN(CC1)S(=O)(=O)c2ccc(s2)Cl |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(=O)N1CCN(CC1)S(=O)(=O)c2ccc(s2)Cl |
