| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | CN(C2CCc1n(c3c(c1C2)cccc3)CC(O)=O)S(c4ccc(F)cc4)(=O)=O |
| InChI | InChI | 1.03 | InChI=1S/C21H21FN2O4S/c1-23(29(27,28)16-9-6-14(22)7-10-16)15-8-11-20-18(12-15)17-4-2-3-5-19(17)24(20)13-21(25)26/h2-7,9-10,15H,8,11-13H2,1H3,(H,25,26)/t15-/m1/s1 |
| InChIKey | InChI | 1.03 | CANCTKXGRVNXFP-OAHLLOKOSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CN([C@@H]1CCc2n(CC(O)=O)c3ccccc3c2C1)[S](=O)(=O)c4ccc(F)cc4 |
| SMILES | CACTVS | 3.385 | CN([CH]1CCc2n(CC(O)=O)c3ccccc3c2C1)[S](=O)(=O)c4ccc(F)cc4 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CN([C@@H]1CCc2c(c3ccccc3n2CC(=O)O)C1)S(=O)(=O)c4ccc(cc4)F |
| SMILES | OpenEye OEToolkits | 2.0.6 | CN(C1CCc2c(c3ccccc3n2CC(=O)O)C1)S(=O)(=O)c4ccc(cc4)F |
