Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | c2cc(S(NC)(=O)=O)cc3CCN(C(c1ccccc1F)=O)c23 |
InChI | InChI | 1.03 | InChI=1S/C16H15FN2O3S/c1-18-23(21,22)12-6-7-15-11(10-12)8-9-19(15)16(20)13-4-2-3-5-14(13)17/h2-7,10,18H,8-9H2,1H3 |
InChIKey | InChI | 1.03 | MLAUXXOCJYXBIG-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CN[S](=O)(=O)c1ccc2N(CCc2c1)C(=O)c3ccccc3F |
SMILES | CACTVS | 3.385 | CN[S](=O)(=O)c1ccc2N(CCc2c1)C(=O)c3ccccc3F |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CNS(=O)(=O)c1ccc2c(c1)CCN2C(=O)c3ccccc3F |
SMILES | OpenEye OEToolkits | 2.0.7 | CNS(=O)(=O)c1ccc2c(c1)CCN2C(=O)c3ccccc3F |