Z2Z
Summary
| Name: | 8-(methanesulfonyl)quinoline |
| Formula: | C10 H9 N O2 S |
| Formal charge: | 0 |
| Formula weight: | 207.249 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 8-(methanesulfonyl)quinoline |
| OpenEye OEToolkits | 2.0.7 | 8-methylsulfonylquinoline |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | CS(=O)(=O)c1cccc2cccnc12 |
| InChI | InChI | 1.06 | InChI=1S/C10H9NO2S/c1-14(12,13)9-6-2-4-8-5-3-7-11-10(8)9/h2-7H,1H3 |
| InChIKey | InChI | 1.06 | RPUNNHCLJDHINC-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[S](=O)(=O)c1cccc2cccnc12 |
| SMILES | CACTVS | 3.385 | C[S](=O)(=O)c1cccc2cccnc12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CS(=O)(=O)c1cccc2c1nccc2 |
| SMILES | OpenEye OEToolkits | 2.0.7 | CS(=O)(=O)c1cccc2c1nccc2 |
