Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=S(=O)(C1CC2OC1C(=C2c1ccc(O)cc1)c1ccc(OCc2ccccc2)cc1)N(CC(F)(F)F)c1ccc(OC)cc1 |
InChI | InChI | 1.03 | InChI=1S/C34H30F3NO6S/c1-42-27-17-11-25(12-18-27)38(21-34(35,36)37)45(40,41)30-19-29-31(23-7-13-26(39)14-8-23)32(33(30)44-29)24-9-15-28(16-10-24)43-20-22-5-3-2-4-6-22/h2-18,29-30,33,39H,19-21H2,1H3/t29-,30+,33+/m0/s1 |
InChIKey | InChI | 1.03 | WSABYNWCWBIYDH-AARCXHMLSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | COc1ccc(cc1)N(CC(F)(F)F)[S](=O)(=O)[C@@H]2C[C@@H]3O[C@H]2C(=C3c4ccc(O)cc4)c5ccc(OCc6ccccc6)cc5 |
SMILES | CACTVS | 3.385 | COc1ccc(cc1)N(CC(F)(F)F)[S](=O)(=O)[CH]2C[CH]3O[CH]2C(=C3c4ccc(O)cc4)c5ccc(OCc6ccccc6)cc5 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | COc1ccc(cc1)N(CC(F)(F)F)S(=O)(=O)[C@@H]2C[C@H]3C(=C([C@@H]2O3)c4ccc(cc4)OCc5ccccc5)c6ccc(cc6)O |
SMILES | OpenEye OEToolkits | 2.0.7 | COc1ccc(cc1)N(CC(F)(F)F)S(=O)(=O)C2CC3C(=C(C2O3)c4ccc(cc4)OCc5ccccc5)c6ccc(cc6)O |