Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | C1CC1c2c(ccc(c2)NS(Cc3ccc(cc3)C)(=O)=O)C#N |
InChI | InChI | 1.03 | InChI=1S/C18H18N2O2S/c1-13-2-4-14(5-3-13)12-23(21,22)20-17-9-8-16(11-19)18(10-17)15-6-7-15/h2-5,8-10,15,20H,6-7,12H2,1H3 |
InChIKey | InChI | 1.03 | PVSUTUAFYDGUTJ-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Cc1ccc(C[S](=O)(=O)Nc2ccc(C#N)c(c2)C3CC3)cc1 |
SMILES | CACTVS | 3.385 | Cc1ccc(C[S](=O)(=O)Nc2ccc(C#N)c(c2)C3CC3)cc1 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | Cc1ccc(cc1)CS(=O)(=O)Nc2ccc(c(c2)C3CC3)C#N |
SMILES | OpenEye OEToolkits | 2.0.6 | Cc1ccc(cc1)CS(=O)(=O)Nc2ccc(c(c2)C3CC3)C#N |