Type | Program | Version | Descriptor |
InChI | InChI | 1.06 | InChI=1S/C17H16FN3O2S/c18-13-6-1-2-7-16(13)24(22,23)21-12-8-9-14-15(10-12)20-17(19-14)11-4-3-5-11/h1-2,6-11,21H,3-5H2,(H,19,20) |
InChIKey | InChI | 1.06 | RNCGESUAFOAOBJ-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Fc1ccccc1[S](=O)(=O)Nc2ccc3[nH]c(nc3c2)C4CCC4 |
SMILES | CACTVS | 3.385 | Fc1ccccc1[S](=O)(=O)Nc2ccc3[nH]c(nc3c2)C4CCC4 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc(c(c1)F)S(=O)(=O)Nc2ccc3c(c2)nc([nH]3)C4CCC4 |
SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(c(c1)F)S(=O)(=O)Nc2ccc3c(c2)nc([nH]3)C4CCC4 |