Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=C(O)c2sc(cc2NS(=O)(=O)c1ccccc1C)c3ccc(C#N)cc3 |
SMILES_CANONICAL | CACTVS | 3.341 | Cc1ccccc1[S](=O)(=O)Nc2cc(sc2C(O)=O)c3ccc(cc3)C#N |
SMILES | CACTVS | 3.341 | Cc1ccccc1[S](=O)(=O)Nc2cc(sc2C(O)=O)c3ccc(cc3)C#N |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | Cc1ccccc1S(=O)(=O)Nc2cc(sc2C(=O)O)c3ccc(cc3)C#N |
SMILES | OpenEye OEToolkits | 1.5.0 | Cc1ccccc1S(=O)(=O)Nc2cc(sc2C(=O)O)c3ccc(cc3)C#N |
InChI | InChI | 1.03 | InChI=1S/C19H14N2O4S2/c1-12-4-2-3-5-17(12)27(24,25)21-15-10-16(26-18(15)19(22)23)14-8-6-13(11-20)7-9-14/h2-10,21H,1H3,(H,22,23) |
InChIKey | InChI | 1.03 | RYXAHMSZLLIPRO-UHFFFAOYSA-N |