| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=S5(=O)CCCC(NC(=O)c4ccc(Oc3ccc(C#CC2(O)C1CCN(CC1)C2)cc3)cc4)C5 |
| InChI | InChI | 1.03 | InChI=1S/C27H30N2O5S/c30-26(28-23-2-1-17-35(32,33)18-23)21-5-9-25(10-6-21)34-24-7-3-20(4-8-24)11-14-27(31)19-29-15-12-22(27)13-16-29/h3-10,22-23,31H,1-2,12-13,15-19H2,(H,28,30)/t23-,27+/m1/s1 |
| InChIKey | InChI | 1.03 | IOEYWFCDGXVEFG-KCWPFWIISA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O[C@]1(CN2CCC1CC2)C#Cc3ccc(Oc4ccc(cc4)C(=O)N[C@@H]5CCC[S](=O)(=O)C5)cc3 |
| SMILES | CACTVS | 3.385 | O[C]1(CN2CCC1CC2)C#Cc3ccc(Oc4ccc(cc4)C(=O)N[CH]5CCC[S](=O)(=O)C5)cc3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | c1cc(ccc1C#C[C@@]2(CN3CCC2CC3)O)Oc4ccc(cc4)C(=O)N[C@@H]5CCCS(=O)(=O)C5 |
| SMILES | OpenEye OEToolkits | 1.9.2 | c1cc(ccc1C#CC2(CN3CCC2CC3)O)Oc4ccc(cc4)C(=O)NC5CCCS(=O)(=O)C5 |
