| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | O=S(=O)(Nc1cc(Cl)ccc1OC)N1CCCC(C1)C(N)=O |
| InChI | InChI | 1.06 | InChI=1S/C13H18ClN3O4S/c1-21-12-5-4-10(14)7-11(12)16-22(19,20)17-6-2-3-9(8-17)13(15)18/h4-5,7,9,16H,2-3,6,8H2,1H3,(H2,15,18)/t9-/m0/s1 |
| InChIKey | InChI | 1.06 | XSZBTPSYMNFHRU-VIFPVBQESA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1ccc(Cl)cc1N[S](=O)(=O)N2CCC[C@@H](C2)C(N)=O |
| SMILES | CACTVS | 3.385 | COc1ccc(Cl)cc1N[S](=O)(=O)N2CCC[CH](C2)C(N)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | COc1ccc(cc1NS(=O)(=O)N2CCC[C@@H](C2)C(=O)N)Cl |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | COc1ccc(cc1NS(=O)(=O)N2CCCC(C2)C(=O)N)Cl |
