Type | Program | Version | Descriptor |
InChI | InChI | 1.03 | InChI=1S/C18H14FNO5S/c1-25-16-8-9-17(13-5-3-2-4-12(13)16)26(23,24)20-15-10-11(18(21)22)6-7-14(15)19/h2-10,20H,1H3,(H,21,22) |
InChIKey | InChI | 1.03 | PRQVEVLBUCMWDD-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | COc1ccc(c2ccccc12)[S](=O)(=O)Nc3cc(ccc3F)C(O)=O |
SMILES | CACTVS | 3.385 | COc1ccc(c2ccccc12)[S](=O)(=O)Nc3cc(ccc3F)C(O)=O |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | COc1ccc(c2c1cccc2)S(=O)(=O)Nc3cc(ccc3F)C(=O)O |
SMILES | OpenEye OEToolkits | 2.0.6 | COc1ccc(c2c1cccc2)S(=O)(=O)Nc3cc(ccc3F)C(=O)O |