Type | Program | Version | Descriptor |
InChI | InChI | 1.03 | InChI=1S/C18H16FNO4S/c1-18(2)17(21)15(12-4-3-5-13(19)10-12)16(24-18)11-6-8-14(9-7-11)25(20,22)23/h3-10H,1-2H3,(H2,20,22,23) |
InChIKey | InChI | 1.03 | IJWPAFMIFNSIGD-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CC1(C)OC(=C(C1=O)c2cccc(F)c2)c3ccc(cc3)[S](N)(=O)=O |
SMILES | CACTVS | 3.385 | CC1(C)OC(=C(C1=O)c2cccc(F)c2)c3ccc(cc3)[S](N)(=O)=O |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.5 | CC1(C(=O)C(=C(O1)c2ccc(cc2)S(=O)(=O)N)c3cccc(c3)F)C |
SMILES | OpenEye OEToolkits | 2.0.5 | CC1(C(=O)C(=C(O1)c2ccc(cc2)S(=O)(=O)N)c3cccc(c3)F)C |