T6M
Summary
| Name: | 1-{4-[(4-chlorophenyl)sulfonyl]piperazin-1-yl}ethan-1-one |
| Formula: | C12 H15 Cl N2 O3 S |
| Formal charge: | 0 |
| Formula weight: | 302.777 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 1-{4-[(4-chlorophenyl)sulfonyl]piperazin-1-yl}ethan-1-one |
| OpenEye OEToolkits | 2.0.7 | 1-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]ethanone |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | N1(CCN(CC1)C(C)=O)S(c2ccc(cc2)Cl)(=O)=O |
| InChI | InChI | 1.03 | InChI=1S/C12H15ClN2O3S/c1-10(16)14-6-8-15(9-7-14)19(17,18)12-4-2-11(13)3-5-12/h2-5H,6-9H2,1H3 |
| InChIKey | InChI | 1.03 | VTRBWFKJTCGLDP-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(=O)N1CCN(CC1)[S](=O)(=O)c2ccc(Cl)cc2 |
| SMILES | CACTVS | 3.385 | CC(=O)N1CCN(CC1)[S](=O)(=O)c2ccc(Cl)cc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(=O)N1CCN(CC1)S(=O)(=O)c2ccc(cc2)Cl |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(=O)N1CCN(CC1)S(=O)(=O)c2ccc(cc2)Cl |
