Q4Q
Summary
| Name: | N-[2-(diethylamino)ethyl]-1-(4-methylphenyl)methanesulfonamide |
| Formula: | C14 H24 N2 O2 S |
| Formal charge: | 0 |
| Formula weight: | 284.418 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | N-[2-(diethylamino)ethyl]-1-(4-methylphenyl)methanesulfonamide |
| OpenEye OEToolkits | 1.9.2 | N-[2-(diethylamino)ethyl]-1-(4-methylphenyl)methanesulfonamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=S(=O)(NCCN(CC)CC)Cc1ccc(cc1)C |
| InChI | InChI | 1.03 | InChI=1S/C14H24N2O2S/c1-4-16(5-2)11-10-15-19(17,18)12-14-8-6-13(3)7-9-14/h6-9,15H,4-5,10-12H2,1-3H3 |
| InChIKey | InChI | 1.03 | LLYDBPSCQPGQNQ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCN(CC)CCN[S](=O)(=O)Cc1ccc(C)cc1 |
| SMILES | CACTVS | 3.385 | CCN(CC)CCN[S](=O)(=O)Cc1ccc(C)cc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | CCN(CC)CCNS(=O)(=O)Cc1ccc(cc1)C |
| SMILES | OpenEye OEToolkits | 1.9.2 | CCN(CC)CCNS(=O)(=O)Cc1ccc(cc1)C |
