Type | Program | Version | Descriptor |
InChI | InChI | 1.03 | InChI=1S/C19H21F3N4O4S2/c20-19(21,22)12-10-14-16(15(11-12)24-28)31-18(23-17(14)27)25-6-8-26(9-7-25)32(29,30)13-4-2-1-3-5-13/h10-11,13H,1-9H2/p+1 |
InChIKey | InChI | 1.03 | VHHRHWGBLOBVLW-UHFFFAOYSA-O |
SMILES_CANONICAL | CACTVS | 3.385 | FC(F)(F)c1cc([NH+]=O)c2SC(=NC(=O)c2c1)N3CCN(CC3)[S](=O)(=O)C4CCCCC4 |
SMILES | CACTVS | 3.385 | FC(F)(F)c1cc([NH+]=O)c2SC(=NC(=O)c2c1)N3CCN(CC3)[S](=O)(=O)C4CCCCC4 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1c(cc(c2c1C(=O)N=C(S2)N3CCN(CC3)S(=O)(=O)C4CCCCC4)[NH+]=O)C(F)(F)F |
SMILES | OpenEye OEToolkits | 2.0.6 | c1c(cc(c2c1C(=O)N=C(S2)N3CCN(CC3)S(=O)(=O)C4CCCCC4)[NH+]=O)C(F)(F)F |