Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | c1(sc(F)cn1)NC(=O)C(CC2CCOCC2)n3c4c(cn3)c(ccc4)S(=O)(=O)C5CC5 |
InChI | InChI | 1.03 | InChI=1S/C21H23FN4O4S2/c22-19-12-23-21(31-19)25-20(27)17(10-13-6-8-30-9-7-13)26-16-2-1-3-18(15(16)11-24-26)32(28,29)14-4-5-14/h1-3,11-14,17H,4-10H2,(H,23,25,27)/t17-/m0/s1 |
InChIKey | InChI | 1.03 | VFUKAAVEACENGY-KRWDZBQOSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Fc1sc(NC(=O)[C@H](CC2CCOCC2)n3ncc4c3cccc4[S](=O)(=O)C5CC5)nc1 |
SMILES | CACTVS | 3.385 | Fc1sc(NC(=O)[CH](CC2CCOCC2)n3ncc4c3cccc4[S](=O)(=O)C5CC5)nc1 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1cc2c(cnn2[C@@H](CC3CCOCC3)C(=O)Nc4ncc(s4)F)c(c1)S(=O)(=O)C5CC5 |
SMILES | OpenEye OEToolkits | 2.0.6 | c1cc2c(cnn2C(CC3CCOCC3)C(=O)Nc4ncc(s4)F)c(c1)S(=O)(=O)C5CC5 |