US7
Summary
| Name: | 1-[4-(methylsulfonyl)phenyl]piperazine |
| Formula: | C11 H16 N2 O2 S |
| Formal charge: | 0 |
| Formula weight: | 240.322 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 1-[4-(methylsulfonyl)phenyl]piperazine |
| OpenEye OEToolkits | 2.0.7 | 1-(4-methylsulfonylphenyl)piperazine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | N2CCN(c1ccc(S(=O)(C)=O)cc1)CC2 |
| InChI | InChI | 1.03 | InChI=1S/C11H16N2O2S/c1-16(14,15)11-4-2-10(3-5-11)13-8-6-12-7-9-13/h2-5,12H,6-9H2,1H3 |
| InChIKey | InChI | 1.03 | KNQFDOLIXOOIGX-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[S](=O)(=O)c1ccc(cc1)N2CCNCC2 |
| SMILES | CACTVS | 3.385 | C[S](=O)(=O)c1ccc(cc1)N2CCNCC2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CS(=O)(=O)c1ccc(cc1)N2CCNCC2 |
| SMILES | OpenEye OEToolkits | 2.0.7 | CS(=O)(=O)c1ccc(cc1)N2CCNCC2 |
