| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(N1CCOCC1)C3C(C(=O)NCC=[N@H])CN(S(=O)(=O)c2ccccc2Cl)C3 |
| InChI | InChI | 1.03 | InChI=1S/C18H23ClN4O5S/c19-15-3-1-2-4-16(15)29(26,27)23-11-13(17(24)21-6-5-20)14(12-23)18(25)22-7-9-28-10-8-22/h1-5,13-14,20H,6-12H2,(H,21,24)/b20-5+/t13-,14-/m1/s1 |
| InChIKey | InChI | 1.03 | PZXUNWUKBPZQOX-HASADGDUSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Clc1ccccc1[S](=O)(=O)N2C[C@H]([C@@H](C2)C(=O)N3CCOCC3)C(=O)NCC=N |
| SMILES | CACTVS | 3.385 | Clc1ccccc1[S](=O)(=O)N2C[CH]([CH](C2)C(=O)N3CCOCC3)C(=O)NCC=N |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | [H]/N=C/CNC(=O)[C@@H]1CN(C[C@H]1C(=O)N2CCOCC2)S(=O)(=O)c3ccccc3Cl |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1ccc(c(c1)S(=O)(=O)N2CC(C(C2)C(=O)N3CCOCC3)C(=O)NCC=N)Cl |
