| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C26H33N5O4S/c1-20(2)31-11-9-30(10-12-31)8-4-5-21-15-24(19-27-17-21)29-36(32,33)25-16-23(18-28-26(25)34-3)22-6-13-35-14-7-22/h6,15-20,29H,7-14H2,1-3H3 |
| InChIKey | InChI | 1.03 | WSRDHUWKQAFXNI-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1ncc(cc1[S](=O)(=O)Nc2cncc(c2)C#CCN3CCN(CC3)C(C)C)C4=CCOCC4 |
| SMILES | CACTVS | 3.385 | COc1ncc(cc1[S](=O)(=O)Nc2cncc(c2)C#CCN3CCN(CC3)C(C)C)C4=CCOCC4 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(C)N1CCN(CC1)CC#Cc2cc(cnc2)NS(=O)(=O)c3cc(cnc3OC)C4=CCOCC4 |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(C)N1CCN(CC1)CC#Cc2cc(cnc2)NS(=O)(=O)c3cc(cnc3OC)C4=CCOCC4 |
