Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(NC)c3ncn(c2c(cc1c(C(=O)N(C(=O)N1)NS(=O)(=O)C)c2)C(F)(F)F)c3 |
InChI | InChI | 1.03 | InChI=1S/C15H13F3N6O5S/c1-19-12(25)10-5-23(6-20-10)11-3-7-9(4-8(11)15(16,17)18)21-14(27)24(13(7)26)22-30(2,28)29/h3-6,22H,1-2H3,(H,19,25)(H,21,27) |
InChIKey | InChI | 1.03 | HFRCANFHOYZAQE-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.370 | CNC(=O)c1cn(cn1)c2cc3c(NC(=O)N(N[S](C)(=O)=O)C3=O)cc2C(F)(F)F |
SMILES | CACTVS | 3.370 | CNC(=O)c1cn(cn1)c2cc3c(NC(=O)N(N[S](C)(=O)=O)C3=O)cc2C(F)(F)F |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.2 | CNC(=O)c1cn(cn1)c2cc3c(cc2C(F)(F)F)NC(=O)N(C3=O)NS(=O)(=O)C |
SMILES | OpenEye OEToolkits | 1.7.2 | CNC(=O)c1cn(cn1)c2cc3c(cc2C(F)(F)F)NC(=O)N(C3=O)NS(=O)(=O)C |