Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | CNS(Nc1cccc(c1)N5C(N(C2CC2)C(C=3C5=C(C(=O)N(C=3Nc4ccc(I)cc4F)C)C)=O)=O)(=O)=O |
InChI | InChI | 1.03 | InChI=1S/C25H24FIN6O5S/c1-13-21-20(22(31(3)23(13)34)29-19-10-7-14(27)11-18(19)26)24(35)33(16-8-9-16)25(36)32(21)17-6-4-5-15(12-17)30-39(37,38)28-2/h4-7,10-12,16,28-30H,8-9H2,1-3H3 |
InChIKey | InChI | 1.03 | DNNMBAWCLGMMRJ-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CN[S](=O)(=O)Nc1cccc(c1)N2C(=O)N(C3CC3)C(=O)C4=C(Nc5ccc(I)cc5F)N(C)C(=O)C(=C24)C |
SMILES | CACTVS | 3.385 | CN[S](=O)(=O)Nc1cccc(c1)N2C(=O)N(C3CC3)C(=O)C4=C(Nc5ccc(I)cc5F)N(C)C(=O)C(=C24)C |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC1=C2C(=C(N(C1=O)C)Nc3ccc(cc3F)I)C(=O)N(C(=O)N2c4cccc(c4)NS(=O)(=O)NC)C5CC5 |
SMILES | OpenEye OEToolkits | 2.0.7 | CC1=C2C(=C(N(C1=O)C)Nc3ccc(cc3F)I)C(=O)N(C(=O)N2c4cccc(c4)NS(=O)(=O)NC)C5CC5 |