| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C23H24N2O2S/c1-16(2)25-19-12-10-17(11-13-19)15-21(18-7-4-3-5-8-18)28-22-20(23(26)27)9-6-14-24-22/h3-14,16,21,25H,15H2,1-2H3,(H,26,27)/t21-/m1/s1 |
| InChIKey | InChI | 1.06 | PMGINGFEKNVNTN-OAQYLSRUSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(C)Nc1ccc(C[C@@H](Sc2ncccc2C(O)=O)c3ccccc3)cc1 |
| SMILES | CACTVS | 3.385 | CC(C)Nc1ccc(C[CH](Sc2ncccc2C(O)=O)c3ccccc3)cc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(C)Nc1ccc(cc1)C[C@H](c2ccccc2)Sc3c(cccn3)C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(C)Nc1ccc(cc1)CC(c2ccccc2)Sc3c(cccn3)C(=O)O |
