Type | Program | Version | Descriptor |
InChI | InChI | 1.03 | InChI=1S/C18H16F4N2O4S/c19-13-2-1-10(18(26)23-11-8-14(20)17(22)15(21)9-11)7-16(13)29(27,28)24-5-3-12(25)4-6-24/h1-2,7-9,12,25H,3-6H2,(H,23,26) |
InChIKey | InChI | 1.03 | KKMFSVNFPUPGCA-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | OC1CCN(CC1)[S](=O)(=O)c2cc(ccc2F)C(=O)Nc3cc(F)c(F)c(F)c3 |
SMILES | CACTVS | 3.385 | OC1CCN(CC1)[S](=O)(=O)c2cc(ccc2F)C(=O)Nc3cc(F)c(F)c(F)c3 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.5 | c1cc(c(cc1C(=O)Nc2cc(c(c(c2)F)F)F)S(=O)(=O)N3CCC(CC3)O)F |
SMILES | OpenEye OEToolkits | 2.0.5 | c1cc(c(cc1C(=O)Nc2cc(c(c(c2)F)F)F)S(=O)(=O)N3CCC(CC3)O)F |