VJO
Summary
| Name: | N-(2,3-dihydro-1,4-benzodioxin-6-yl)methanesulfonamide |
| Formula: | C9 H11 N O4 S |
| Formal charge: | 0 |
| Formula weight: | 229.253 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | N-(2,3-dihydro-1,4-benzodioxin-6-yl)methanesulfonamide |
| OpenEye OEToolkits | 2.0.7 | ~{N}-(2,3-dihydro-1,4-benzodioxin-6-yl)methanesulfonamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | CS(=O)(=O)Nc1ccc2OCCOc2c1 |
| InChI | InChI | 1.06 | InChI=1S/C9H11NO4S/c1-15(11,12)10-7-2-3-8-9(6-7)14-5-4-13-8/h2-3,6,10H,4-5H2,1H3 |
| InChIKey | InChI | 1.06 | AUBOIJRZDYWMPQ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[S](=O)(=O)Nc1ccc2OCCOc2c1 |
| SMILES | CACTVS | 3.385 | C[S](=O)(=O)Nc1ccc2OCCOc2c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CS(=O)(=O)Nc1ccc2c(c1)OCCO2 |
| SMILES | OpenEye OEToolkits | 2.0.7 | CS(=O)(=O)Nc1ccc2c(c1)OCCO2 |
