Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | Brc1ccc(CC(=O)Nc2ccc(cc2Cl)S(N)(=O)=O)c(F)c1Oc1cc(C#N)cc(Cl)c1 |
InChI | InChI | 1.03 | InChI=1S/C21H13BrCl2FN3O4S/c22-16-3-1-12(20(25)21(16)32-14-6-11(10-26)5-13(23)8-14)7-19(29)28-18-4-2-15(9-17(18)24)33(27,30)31/h1-6,8-9H,7H2,(H,28,29)(H2,27,30,31) |
InChIKey | InChI | 1.03 | SBUUICLVCQQMFP-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | N[S](=O)(=O)c1ccc(NC(=O)Cc2ccc(Br)c(Oc3cc(Cl)cc(c3)C#N)c2F)c(Cl)c1 |
SMILES | CACTVS | 3.385 | N[S](=O)(=O)c1ccc(NC(=O)Cc2ccc(Br)c(Oc3cc(Cl)cc(c3)C#N)c2F)c(Cl)c1 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(c(cc1S(=O)(=O)N)Cl)NC(=O)Cc2ccc(c(c2F)Oc3cc(cc(c3)Cl)C#N)Br |
SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(c(cc1S(=O)(=O)N)Cl)NC(=O)Cc2ccc(c(c2F)Oc3cc(cc(c3)Cl)C#N)Br |