| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C22H28N2O6S/c1-30-18-8-5-7-17(22(18)29)13-24(15-21(27)28)11-10-23(14-20(25)26)12-16-6-3-4-9-19(16)31-2/h3-9,29H,10-15H2,1-2H3,(H,25,26)(H,27,28) |
| InChIKey | InChI | 1.03 | WFZIZUYYKZMMKQ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1cccc(CN(CCN(CC(O)=O)Cc2ccccc2SC)CC(O)=O)c1O |
| SMILES | CACTVS | 3.385 | COc1cccc(CN(CCN(CC(O)=O)Cc2ccccc2SC)CC(O)=O)c1O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | COc1cccc(c1O)CN(CCN(Cc2ccccc2SC)CC(=O)O)CC(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.6 | COc1cccc(c1O)CN(CCN(Cc2ccccc2SC)CC(=O)O)CC(=O)O |
