Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | COc1ccc(cn1)c1cccc(c1)S(=O)(=O)NC(=O)C(N)CS |
InChI | InChI | 1.06 | InChI=1S/C15H17N3O4S2/c1-22-14-6-5-11(8-17-14)10-3-2-4-12(7-10)24(20,21)18-15(19)13(16)9-23/h2-8,13,23H,9,16H2,1H3,(H,18,19)/t13-/m0/s1 |
InChIKey | InChI | 1.06 | LQDUHWTWGXAMOC-ZDUSSCGKSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | COc1ccc(cn1)c2cccc(c2)[S](=O)(=O)NC(=O)[C@@H](N)CS |
SMILES | CACTVS | 3.385 | COc1ccc(cn1)c2cccc(c2)[S](=O)(=O)NC(=O)[CH](N)CS |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | COc1ccc(cn1)c2cccc(c2)S(=O)(=O)NC(=O)[C@H](CS)N |
SMILES | OpenEye OEToolkits | 2.0.7 | COc1ccc(cn1)c2cccc(c2)S(=O)(=O)NC(=O)C(CS)N |