Type | Program | Version | Descriptor |
InChI | InChI | 1.03 | InChI=1S/C22H15Cl2N2O6S2/c23-15-2-1-3-16(24)14(15)11-34(31,32)13-5-7-20-17(10-13)25-22(28)21(33-20)9-12-4-6-19(27)18(8-12)26(29)30/h1-10,27H,11H2,(H,25,28)(H,29,30)/b21-9- |
InChIKey | InChI | 1.03 | VUSCGLBHGBXFCC-NKVSQWTQSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Oc1ccc(\C=C2/Sc3ccc(cc3NC2=O)[S](=O)(=O)Cc4c(Cl)cccc4Cl)cc1[N](O)=O |
SMILES | CACTVS | 3.385 | Oc1ccc(C=C2Sc3ccc(cc3NC2=O)[S](=O)(=O)Cc4c(Cl)cccc4Cl)cc1[N](O)=O |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(c(c(c1)Cl)CS(=O)(=O)c2ccc3c(c2)NC(=O)/C(=C/c4ccc(c(c4)[N](=O)O)O)/S3)Cl |
SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(c(c(c1)Cl)CS(=O)(=O)c2ccc3c(c2)NC(=O)C(=Cc4ccc(c(c4)[N](=O)O)O)S3)Cl |