| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)C1OC(C(O)C(O)C1O)N1CCN(CC1)C1=Nc2ccccc2Sc2ccccc21 |
| InChI | InChI | 1.06 | InChI=1S/C23H25N3O6S/c27-17-18(28)20(23(30)31)32-22(19(17)29)26-11-9-25(10-12-26)21-13-5-1-3-7-15(13)33-16-8-4-2-6-14(16)24-21/h1-8,17-20,22,27-29H,9-12H2,(H,30,31)/t17-,18-,19+,20-,22+/m0/s1 |
| InChIKey | InChI | 1.06 | UKCFGNFADWVWOZ-SXFAUFNYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O[C@@H]1[C@@H](O)[C@@H](O[C@@H]([C@H]1O)C(O)=O)N2CCN(CC2)C3=Nc4ccccc4Sc5ccccc35 |
| SMILES | CACTVS | 3.385 | O[CH]1[CH](O)[CH](O[CH]([CH]1O)C(O)=O)N2CCN(CC2)C3=Nc4ccccc4Sc5ccccc35 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc2c(c1)C(=Nc3ccccc3S2)N4CCN(CC4)[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)O)O)O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc2c(c1)C(=Nc3ccccc3S2)N4CCN(CC4)C5C(C(C(C(O5)C(=O)O)O)O)O |
