| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | c1(S(=O)(=O)N)ccc(cc1)OCC(CNC(C)C)O |
| InChI | InChI | 1.03 | InChI=1S/C12H20N2O4S/c1-9(2)14-7-10(15)8-18-11-3-5-12(6-4-11)19(13,16)17/h3-6,9-10,14-15H,7-8H2,1-2H3,(H2,13,16,17)/t10-/m0/s1 |
| InChIKey | InChI | 1.03 | AWVJYQXSBBLZMK-JTQLQIEISA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(C)NC[C@H](O)COc1ccc(cc1)[S](N)(=O)=O |
| SMILES | CACTVS | 3.385 | CC(C)NC[CH](O)COc1ccc(cc1)[S](N)(=O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CC(C)NC[C@@H](COc1ccc(cc1)S(=O)(=O)N)O |
| SMILES | OpenEye OEToolkits | 2.0.6 | CC(C)NCC(COc1ccc(cc1)S(=O)(=O)N)O |
