Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | Cc1c(cc(C)cc1S(=O)(=O)Nc1ccc(cc1)C(=O)O)S(=O)(=O)c1ccc(C)cc1 |
InChI | InChI | 1.06 | InChI=1S/C22H21NO6S2/c1-14-4-10-19(11-5-14)30(26,27)20-12-15(2)13-21(16(20)3)31(28,29)23-18-8-6-17(7-9-18)22(24)25/h4-13,23H,1-3H3,(H,24,25) |
InChIKey | InChI | 1.06 | VUONIWZYCHRGQL-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Cc1ccc(cc1)[S](=O)(=O)c2cc(C)cc(c2C)[S](=O)(=O)Nc3ccc(cc3)C(O)=O |
SMILES | CACTVS | 3.385 | Cc1ccc(cc1)[S](=O)(=O)c2cc(C)cc(c2C)[S](=O)(=O)Nc3ccc(cc3)C(O)=O |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1ccc(cc1)S(=O)(=O)c2cc(cc(c2C)S(=O)(=O)Nc3ccc(cc3)C(=O)O)C |
SMILES | OpenEye OEToolkits | 2.0.7 | Cc1ccc(cc1)S(=O)(=O)c2cc(cc(c2C)S(=O)(=O)Nc3ccc(cc3)C(=O)O)C |