Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | CCc1cc(cc(c1C#N)C)NS(=O)(=O)Cc2ccc(cc2)C |
InChI | InChI | 1.03 | InChI=1S/C18H20N2O2S/c1-4-16-10-17(9-14(3)18(16)11-19)20-23(21,22)12-15-7-5-13(2)6-8-15/h5-10,20H,4,12H2,1-3H3 |
InChIKey | InChI | 1.03 | JJJGFSNVNAZOCI-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CCc1cc(N[S](=O)(=O)Cc2ccc(C)cc2)cc(C)c1C#N |
SMILES | CACTVS | 3.385 | CCc1cc(N[S](=O)(=O)Cc2ccc(C)cc2)cc(C)c1C#N |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CCc1cc(cc(c1C#N)C)NS(=O)(=O)Cc2ccc(cc2)C |
SMILES | OpenEye OEToolkits | 2.0.6 | CCc1cc(cc(c1C#N)C)NS(=O)(=O)Cc2ccc(cc2)C |