Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | c1c(C(=O)NS(C)(=O)=O)c(C)cc(c1c2ccc(s2)C#CCO)OC |
InChI | InChI | 1.03 | InChI=1S/C17H17NO5S2/c1-11-9-15(23-2)14(10-13(11)17(20)18-25(3,21)22)16-7-6-12(24-16)5-4-8-19/h6-7,9-10,19H,8H2,1-3H3,(H,18,20) |
InChIKey | InChI | 1.03 | BQEHLOAHCIMXML-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | COc1cc(C)c(cc1c2sc(cc2)C#CCO)C(=O)N[S](C)(=O)=O |
SMILES | CACTVS | 3.385 | COc1cc(C)c(cc1c2sc(cc2)C#CCO)C(=O)N[S](C)(=O)=O |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.4 | Cc1cc(c(cc1C(=O)NS(=O)(=O)C)c2ccc(s2)C#CCO)OC |
SMILES | OpenEye OEToolkits | 2.0.4 | Cc1cc(c(cc1C(=O)NS(=O)(=O)C)c2ccc(s2)C#CCO)OC |