| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C22H21N3O4S/c23-10-16-6-8-20(9-7-16)30(28,29)25-13-19(14-25)18-11-24(12-18)22(27)21(15-26)17-4-2-1-3-5-17/h1-9,21,26H,11-15H2/t21-/m1/s1 |
| InChIKey | InChI | 1.06 | FPWQJXOIPQHHBQ-OAQYLSRUSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC[C@@H](C(=O)N1CC(C1)=C2CN(C2)[S](=O)(=O)c3ccc(cc3)C#N)c4ccccc4 |
| SMILES | CACTVS | 3.385 | OC[CH](C(=O)N1CC(C1)=C2CN(C2)[S](=O)(=O)c3ccc(cc3)C#N)c4ccccc4 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)[C@@H](CO)C(=O)N2CC(=C3CN(C3)S(=O)(=O)c4ccc(cc4)C#N)C2 |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)C(CO)C(=O)N2CC(=C3CN(C3)S(=O)(=O)c4ccc(cc4)C#N)C2 |
