Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | N(S(c1ccc(cc1)S(=O)(=O)O)(=O)=O)c2ncccc2Cl |
InChI | InChI | 1.03 | InChI=1S/C11H9ClN2O5S2/c12-10-2-1-7-13-11(10)14-20(15,16)8-3-5-9(6-4-8)21(17,18)19/h1-7H,(H,13,14)(H,17,18,19) |
InChIKey | InChI | 1.03 | HCEVZVCXFTUKMF-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | O[S](=O)(=O)c1ccc(cc1)[S](=O)(=O)Nc2ncccc2Cl |
SMILES | CACTVS | 3.385 | O[S](=O)(=O)c1ccc(cc1)[S](=O)(=O)Nc2ncccc2Cl |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(c(nc1)NS(=O)(=O)c2ccc(cc2)S(=O)(=O)O)Cl |
SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(c(nc1)NS(=O)(=O)c2ccc(cc2)S(=O)(=O)O)Cl |