Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=S(=O)(c1ccccc1)Nc4ccc2c(nc(n2C)Cc3ccc(C(=[N@H])N)cc3)c4 |
SMILES_CANONICAL | CACTVS | 3.341 | Cn1c(Cc2ccc(cc2)C(N)=N)nc3cc(N[S](=O)(=O)c4ccccc4)ccc13 |
SMILES | CACTVS | 3.341 | Cn1c(Cc2ccc(cc2)C(N)=N)nc3cc(N[S](=O)(=O)c4ccccc4)ccc13 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | Cn1c2ccc(cc2nc1Cc3ccc(cc3)C(=N)N)NS(=O)(=O)c4ccccc4 |
SMILES | OpenEye OEToolkits | 1.5.0 | Cn1c2ccc(cc2nc1Cc3ccc(cc3)C(=N)N)NS(=O)(=O)c4ccccc4 |
InChI | InChI | 1.03 | InChI=1S/C22H21N5O2S/c1-27-20-12-11-17(26-30(28,29)18-5-3-2-4-6-18)14-19(20)25-21(27)13-15-7-9-16(10-8-15)22(23)24/h2-12,14,26H,13H2,1H3,(H3,23,24) |
InChIKey | InChI | 1.03 | MEUAVGJWGDPTLF-UHFFFAOYSA-N |