A1ABC
Summary
| Name: | 1-(methanesulfonyl)-1,2,3,4-tetrahydroquinoline |
| Formula: | C10 H13 N O2 S |
| Formal charge: | 0 |
| Formula weight: | 211.281 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 1-(methanesulfonyl)-1,2,3,4-tetrahydroquinoline |
| OpenEye OEToolkits | 2.0.7 | 1-methylsulfonyl-3,4-dihydro-2~{H}-quinoline |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | CS(=O)(=O)N1CCCc2ccccc21 |
| InChI | InChI | 1.06 | InChI=1S/C10H13NO2S/c1-14(12,13)11-8-4-6-9-5-2-3-7-10(9)11/h2-3,5,7H,4,6,8H2,1H3 |
| InChIKey | InChI | 1.06 | ZOPZYWPRKRGGTC-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[S](=O)(=O)N1CCCc2ccccc12 |
| SMILES | CACTVS | 3.385 | C[S](=O)(=O)N1CCCc2ccccc12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CS(=O)(=O)N1CCCc2c1cccc2 |
| SMILES | OpenEye OEToolkits | 2.0.7 | CS(=O)(=O)N1CCCc2c1cccc2 |
