Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | COc1cccc(CNc2ccc(cc2)S(=O)(=O)Nc2nc3ccccc3s2)c1O |
InChI | InChI | 1.06 | InChI=1S/C21H19N3O4S2/c1-28-18-7-4-5-14(20(18)25)13-22-15-9-11-16(12-10-15)30(26,27)24-21-23-17-6-2-3-8-19(17)29-21/h2-12,22,25H,13H2,1H3,(H,23,24) |
InChIKey | InChI | 1.06 | OWHBVKBNNRYMIN-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | COc1cccc(CNc2ccc(cc2)[S](=O)(=O)Nc3sc4ccccc4n3)c1O |
SMILES | CACTVS | 3.385 | COc1cccc(CNc2ccc(cc2)[S](=O)(=O)Nc3sc4ccccc4n3)c1O |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | COc1cccc(c1O)CNc2ccc(cc2)S(=O)(=O)Nc3nc4ccccc4s3 |
SMILES | OpenEye OEToolkits | 2.0.7 | COc1cccc(c1O)CNc2ccc(cc2)S(=O)(=O)Nc3nc4ccccc4s3 |