| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | N(c1ccc(cc1C(O)=O)SCCc2ccccc2)S(N4CCN(Cc3ccc(cc3)C(C)(C)C)CC4)(=O)=O |
| InChI | InChI | 1.03 | InChI=1S/C30H37N3O4S2/c1-30(2,3)25-11-9-24(10-12-25)22-32-16-18-33(19-17-32)39(36,37)31-28-14-13-26(21-27(28)29(34)35)38-20-15-23-7-5-4-6-8-23/h4-14,21,31H,15-20,22H2,1-3H3,(H,34,35) |
| InChIKey | InChI | 1.03 | WIWNZUYJVZDDEH-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(C)(C)c1ccc(CN2CCN(CC2)[S](=O)(=O)Nc3ccc(SCCc4ccccc4)cc3C(O)=O)cc1 |
| SMILES | CACTVS | 3.385 | CC(C)(C)c1ccc(CN2CCN(CC2)[S](=O)(=O)Nc3ccc(SCCc4ccccc4)cc3C(O)=O)cc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(C)(C)c1ccc(cc1)CN2CCN(CC2)S(=O)(=O)Nc3ccc(cc3C(=O)O)SCCc4ccccc4 |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(C)(C)c1ccc(cc1)CN2CCN(CC2)S(=O)(=O)Nc3ccc(cc3C(=O)O)SCCc4ccccc4 |
