Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | c1cc(ccc1C(=O)NCc2ccccc2F)S(N)(=O)=O |
InChI | InChI | 1.03 | InChI=1S/C14H13FN2O3S/c15-13-4-2-1-3-11(13)9-17-14(18)10-5-7-12(8-6-10)21(16,19)20/h1-8H,9H2,(H,17,18)(H2,16,19,20) |
InChIKey | InChI | 1.03 | ULYMHSXFSKOHGH-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | N[S](=O)(=O)c1ccc(cc1)C(=O)NCc2ccccc2F |
SMILES | CACTVS | 3.385 | N[S](=O)(=O)c1ccc(cc1)C(=O)NCc2ccccc2F |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1ccc(c(c1)CNC(=O)c2ccc(cc2)S(=O)(=O)N)F |
SMILES | OpenEye OEToolkits | 1.7.6 | c1ccc(c(c1)CNC(=O)c2ccc(cc2)S(=O)(=O)N)F |