Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=S(=O)(Nc1cc(cc(c1OC)NC(=O)c2ccc(c(c2)n3nnc(c3)C(=O)NCc4ccccc4)C)C(C)(C)C)C |
SMILES_CANONICAL | CACTVS | 3.341 | COc1c(NC(=O)c2ccc(C)c(c2)n3cc(nn3)C(=O)NCc4ccccc4)cc(cc1N[S](C)(=O)=O)C(C)(C)C |
SMILES | CACTVS | 3.341 | COc1c(NC(=O)c2ccc(C)c(c2)n3cc(nn3)C(=O)NCc4ccccc4)cc(cc1N[S](C)(=O)=O)C(C)(C)C |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | Cc1ccc(cc1n2cc(nn2)C(=O)NCc3ccccc3)C(=O)Nc4cc(cc(c4OC)NS(=O)(=O)C)C(C)(C)C |
SMILES | OpenEye OEToolkits | 1.5.0 | Cc1ccc(cc1n2cc(nn2)C(=O)NCc3ccccc3)C(=O)Nc4cc(cc(c4OC)NS(=O)(=O)C)C(C)(C)C |
InChI | InChI | 1.03 | InChI=1S/C30H34N6O5S/c1-19-12-13-21(14-26(19)36-18-25(33-35-36)29(38)31-17-20-10-8-7-9-11-20)28(37)32-23-15-22(30(2,3)4)16-24(27(23)41-5)34-42(6,39)40/h7-16,18,34H,17H2,1-6H3,(H,31,38)(H,32,37) |
InChIKey | InChI | 1.03 | YVIHJEHDPKKGMU-UHFFFAOYSA-N |