Type | Program | Version | Descriptor |
InChI | InChI | 1.06 | InChI=1S/C14H12ClNO6S2/c1-22-14(17)10-7-13(24(16,20)21)11(15)8-12(10)23(18,19)9-5-3-2-4-6-9/h2-8H,1H3,(H2,16,20,21) |
InChIKey | InChI | 1.06 | IGXGTYUIRLTUTM-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | COC(=O)c1cc(c(Cl)cc1[S](=O)(=O)c2ccccc2)[S](N)(=O)=O |
SMILES | CACTVS | 3.385 | COC(=O)c1cc(c(Cl)cc1[S](=O)(=O)c2ccccc2)[S](N)(=O)=O |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | COC(=O)c1cc(c(cc1S(=O)(=O)c2ccccc2)Cl)S(=O)(=O)N |
SMILES | OpenEye OEToolkits | 2.0.7 | COC(=O)c1cc(c(cc1S(=O)(=O)c2ccccc2)Cl)S(=O)(=O)N |