| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | Clc2ccc1cc(ccc1c2)S(=O)(=O)N5CC(C(=O)O)N(CC4CCN(c3ccncc3)CC4)CC5 |
| SMILES_CANONICAL | CACTVS | 3.341 | OC(=O)[C@@H]1CN(CCN1CC2CCN(CC2)c3ccncc3)[S](=O)(=O)c4ccc5cc(Cl)ccc5c4 |
| SMILES | CACTVS | 3.341 | OC(=O)[CH]1CN(CCN1CC2CCN(CC2)c3ccncc3)[S](=O)(=O)c4ccc5cc(Cl)ccc5c4 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1cc(cc2c1cc(cc2)Cl)S(=O)(=O)[N@@]3CC[N@]([C@@H](C3)C(=O)O)CC4CCN(CC4)c5ccncc5 |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1cc(cc2c1cc(cc2)Cl)S(=O)(=O)N3CCN(C(C3)C(=O)O)CC4CCN(CC4)c5ccncc5 |
| InChI | InChI | 1.03 | InChI=1S/C26H29ClN4O4S/c27-22-3-1-21-16-24(4-2-20(21)15-22)36(34,35)31-14-13-30(25(18-31)26(32)33)17-19-7-11-29(12-8-19)23-5-9-28-10-6-23/h1-6,9-10,15-16,19,25H,7-8,11-14,17-18H2,(H,32,33)/t25-/m0/s1 |
| InChIKey | InChI | 1.03 | QLUPDKQDBWRPGQ-VWLOTQADSA-N |
