| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C24H30N4O4S/c1-26-14-20(19-5-3-4-6-22(19)32-16-18-7-8-18)23-21(24(26)29)15-27(25-23)13-17-9-11-28(12-10-17)33(2,30)31/h3-6,14-15,17-18H,7-13,16H2,1-2H3 |
| InChIKey | InChI | 1.06 | GKCQEDVRGDZCTD-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CN1C=C(c2ccccc2OCC3CC3)c4nn(CC5CCN(CC5)[S](C)(=O)=O)cc4C1=O |
| SMILES | CACTVS | 3.385 | CN1C=C(c2ccccc2OCC3CC3)c4nn(CC5CCN(CC5)[S](C)(=O)=O)cc4C1=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CN1C=C(c2c(cn(n2)CC3CCN(CC3)S(=O)(=O)C)C1=O)c4ccccc4OCC5CC5 |
| SMILES | OpenEye OEToolkits | 2.0.7 | CN1C=C(c2c(cn(n2)CC3CCN(CC3)S(=O)(=O)C)C1=O)c4ccccc4OCC5CC5 |
