B3V
Summary
| Name: | N-[2-(diethylamino)ethyl]-3-methoxy-benzenesulfonamide |
| Formula: | C13 H22 N2 O3 S |
| Formal charge: | 0 |
| Formula weight: | 286.39 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | N-[2-(diethylamino)ethyl]-3-methoxybenzenesulfonamide |
| OpenEye OEToolkits | 1.9.2 | N-[2-(diethylamino)ethyl]-3-methoxy-benzenesulfonamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=S(=O)(NCCN(CC)CC)c1cc(OC)ccc1 |
| InChI | InChI | 1.03 | InChI=1S/C13H22N2O3S/c1-4-15(5-2)10-9-14-19(16,17)13-8-6-7-12(11-13)18-3/h6-8,11,14H,4-5,9-10H2,1-3H3 |
| InChIKey | InChI | 1.03 | UWYTYLDQZQFXBP-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCN(CC)CCN[S](=O)(=O)c1cccc(OC)c1 |
| SMILES | CACTVS | 3.385 | CCN(CC)CCN[S](=O)(=O)c1cccc(OC)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | CCN(CC)CCNS(=O)(=O)c1cccc(c1)OC |
| SMILES | OpenEye OEToolkits | 1.9.2 | CCN(CC)CCNS(=O)(=O)c1cccc(c1)OC |
