| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(N1CCN(C)CC1)c5cccc(NC(=O)Nc4ccc(N(c2nc(ncc2)Nc3ccc(cc3)CS(=O)(=O)C)C)cc4)c5 |
| InChI | InChI | 1.03 | InChI=1S/C32H36N8O4S/c1-38-17-19-40(20-18-38)30(41)24-5-4-6-27(21-24)36-32(42)35-26-11-13-28(14-12-26)39(2)29-15-16-33-31(37-29)34-25-9-7-23(8-10-25)22-45(3,43)44/h4-16,21H,17-20,22H2,1-3H3,(H,33,34,37)(H2,35,36,42) |
| InChIKey | InChI | 1.03 | HKWWFBIVSCKLOB-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CN1CCN(CC1)C(=O)c2cccc(NC(=O)Nc3ccc(cc3)N(C)c4ccnc(Nc5ccc(C[S](C)(=O)=O)cc5)n4)c2 |
| SMILES | CACTVS | 3.385 | CN1CCN(CC1)C(=O)c2cccc(NC(=O)Nc3ccc(cc3)N(C)c4ccnc(Nc5ccc(C[S](C)(=O)=O)cc5)n4)c2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | CN1CCN(CC1)C(=O)c2cccc(c2)NC(=O)Nc3ccc(cc3)N(C)c4ccnc(n4)Nc5ccc(cc5)CS(=O)(=O)C |
| SMILES | OpenEye OEToolkits | 1.9.2 | CN1CCN(CC1)C(=O)c2cccc(c2)NC(=O)Nc3ccc(cc3)N(C)c4ccnc(n4)Nc5ccc(cc5)CS(=O)(=O)C |
