Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=S(=O)(c2ccc(Oc1ccc(cc1)C(F)(F)F)cc2)C3(C(=O)NO)CCOCC3 |
SMILES_CANONICAL | CACTVS | 3.341 | ONC(=O)C1(CCOCC1)[S](=O)(=O)c2ccc(Oc3ccc(cc3)C(F)(F)F)cc2 |
SMILES | CACTVS | 3.341 | ONC(=O)C1(CCOCC1)[S](=O)(=O)c2ccc(Oc3ccc(cc3)C(F)(F)F)cc2 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1cc(ccc1C(F)(F)F)Oc2ccc(cc2)S(=O)(=O)C3(CCOCC3)C(=O)NO |
SMILES | OpenEye OEToolkits | 1.5.0 | c1cc(ccc1C(F)(F)F)Oc2ccc(cc2)S(=O)(=O)C3(CCOCC3)C(=O)NO |
InChI | InChI | 1.03 | InChI=1S/C19H18F3NO6S/c20-19(21,22)13-1-3-14(4-2-13)29-15-5-7-16(8-6-15)30(26,27)18(17(24)23-25)9-11-28-12-10-18/h1-8,25H,9-12H2,(H,23,24) |
InChIKey | InChI | 1.03 | FOSWRYKPHVPIDJ-UHFFFAOYSA-N |