| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | CN(C)/C=N/S(=O)(=O)c1ccc(c(F)c1)S(=O)(=O)CCC1CCN(CC1)C(=O)CCc1ccc(cc1Cn1nc(C)nn1)C(F)(F)F |
| InChI | InChI | 1.06 | InChI=1S/C29H35F4N7O5S2/c1-20-35-37-40(36-20)18-23-16-24(29(31,32)33)6-4-22(23)5-9-28(41)39-13-10-21(11-14-39)12-15-46(42,43)27-8-7-25(17-26(27)30)47(44,45)34-19-38(2)3/h4,6-8,16-17,19,21H,5,9-15,18H2,1-3H3/b34-19+ |
| InChIKey | InChI | 1.06 | YEQLCNWTCBFZIH-ALQBTCKLSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CN(C)C=N[S](=O)(=O)c1ccc(c(F)c1)[S](=O)(=O)CCC2CCN(CC2)C(=O)CCc3ccc(cc3Cn4nnc(C)n4)C(F)(F)F |
| SMILES | CACTVS | 3.385 | CN(C)C=N[S](=O)(=O)c1ccc(c(F)c1)[S](=O)(=O)CCC2CCN(CC2)C(=O)CCc3ccc(cc3Cn4nnc(C)n4)C(F)(F)F |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1nnn(n1)Cc2cc(ccc2CCC(=O)N3CCC(CC3)CCS(=O)(=O)c4ccc(cc4F)S(=O)(=O)/N=C/N(C)C)C(F)(F)F |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1nnn(n1)Cc2cc(ccc2CCC(=O)N3CCC(CC3)CCS(=O)(=O)c4ccc(cc4F)S(=O)(=O)N=CN(C)C)C(F)(F)F |
