| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(N1CCCC1)C(NS(=O)(=O)c2cc3c(c(F)c2)CNCC3)Cc4cccc(C#N)c4 |
| InChI | InChI | 1.03 | InChI=1S/C23H25FN4O3S/c24-21-13-19(12-18-6-7-26-15-20(18)21)32(30,31)27-22(23(29)28-8-1-2-9-28)11-16-4-3-5-17(10-16)14-25/h3-5,10,12-13,22,26-27H,1-2,6-9,11,15H2/t22-/m1/s1 |
| InChIKey | InChI | 1.03 | HMBXWXQQVHJMOO-JOCHJYFZSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | Fc1cc(cc2CCNCc12)[S](=O)(=O)N[C@H](Cc3cccc(c3)C#N)C(=O)N4CCCC4 |
| SMILES | CACTVS | 3.370 | Fc1cc(cc2CCNCc12)[S](=O)(=O)N[CH](Cc3cccc(c3)C#N)C(=O)N4CCCC4 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1cc(cc(c1)C#N)C[C@H](C(=O)N2CCCC2)NS(=O)(=O)c3cc4c(c(c3)F)CNCC4 |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1cc(cc(c1)C#N)CC(C(=O)N2CCCC2)NS(=O)(=O)c3cc4c(c(c3)F)CNCC4 |
