Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | Brc1ccc(cc1F)CS(=O)(=O)NC(=O)c1cnn2ccccc12 |
InChI | InChI | 1.06 | InChI=1S/C15H11BrFN3O3S/c16-12-5-4-10(7-13(12)17)9-24(22,23)19-15(21)11-8-18-20-6-2-1-3-14(11)20/h1-8H,9H2,(H,19,21) |
InChIKey | InChI | 1.06 | LSGXMSZZZZALLZ-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Fc1cc(C[S](=O)(=O)NC(=O)c2cnn3ccccc23)ccc1Br |
SMILES | CACTVS | 3.385 | Fc1cc(C[S](=O)(=O)NC(=O)c2cnn3ccccc23)ccc1Br |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccn2c(c1)c(cn2)C(=O)NS(=O)(=O)Cc3ccc(c(c3)F)Br |
SMILES | OpenEye OEToolkits | 2.0.7 | c1ccn2c(c1)c(cn2)C(=O)NS(=O)(=O)Cc3ccc(c(c3)F)Br |