| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=S(=O)(NCC#CC=1C(=NC(=O)N(C=1)C2(COC2)CC(=O)OCC)N)C3CC3 |
| SMILES_CANONICAL | CACTVS | 3.341 | CCOC(=O)CC1(COC1)N2C=C(C#CCN[S](=O)(=O)C3CC3)C(=NC2=O)N |
| SMILES | CACTVS | 3.341 | CCOC(=O)CC1(COC1)N2C=C(C#CCN[S](=O)(=O)C3CC3)C(=NC2=O)N |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CCOC(=O)CC1(COC1)N2C=C(C(=NC2=O)N)C#CCNS(=O)(=O)C3CC3 |
| SMILES | OpenEye OEToolkits | 1.5.0 | CCOC(=O)CC1(COC1)N2C=C(C(=NC2=O)N)C#CCNS(=O)(=O)C3CC3 |
| InChI | InChI | 1.03 | InChI=1S/C17H22N4O6S/c1-2-27-14(22)8-17(10-26-11-17)21-9-12(15(18)20-16(21)23)4-3-7-19-28(24,25)13-5-6-13/h9,13,19H,2,5-8,10-11H2,1H3,(H2,18,20,23) |
| InChIKey | InChI | 1.03 | MIAWQMZUJQYSPX-UHFFFAOYSA-N |
