Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=S(=O)(c2ncc(NC(=O)NS(=O)(=O)c1ccc(F)cc1)cc2)N |
InChI | InChI | 1.03 | InChI=1S/C12H11FN4O5S2/c13-8-1-4-10(5-2-8)24(21,22)17-12(18)16-9-3-6-11(15-7-9)23(14,19)20/h1-7H,(H2,14,19,20)(H2,16,17,18) |
InChIKey | InChI | 1.03 | IQSPZQMMEJIGTG-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.370 | N[S](=O)(=O)c1ccc(NC(=O)N[S](=O)(=O)c2ccc(F)cc2)cn1 |
SMILES | CACTVS | 3.370 | N[S](=O)(=O)c1ccc(NC(=O)N[S](=O)(=O)c2ccc(F)cc2)cn1 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1cc(ccc1F)S(=O)(=O)NC(=O)Nc2ccc(nc2)S(=O)(=O)N |
SMILES | OpenEye OEToolkits | 1.7.6 | c1cc(ccc1F)S(=O)(=O)NC(=O)Nc2ccc(nc2)S(=O)(=O)N |