Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | C(C(=O)Nc1ccc(Cl)c(c1)S(=O)(=O)N2CCOCC2)Cl |
InChI | InChI | 1.03 | InChI=1S/C12H14Cl2N2O4S/c13-8-12(17)15-9-1-2-10(14)11(7-9)21(18,19)16-3-5-20-6-4-16/h1-2,7H,3-6,8H2,(H,15,17) |
InChIKey | InChI | 1.03 | DGQBLXIZLVFBCI-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | ClCC(=O)Nc1ccc(Cl)c(c1)[S](=O)(=O)N2CCOCC2 |
SMILES | CACTVS | 3.385 | ClCC(=O)Nc1ccc(Cl)c(c1)[S](=O)(=O)N2CCOCC2 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(c(cc1NC(=O)CCl)S(=O)(=O)N2CCOCC2)Cl |
SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(c(cc1NC(=O)CCl)S(=O)(=O)N2CCOCC2)Cl |