Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | Clc1ccccc1S(=O)(=O)Nc5cc(c4nn2c(nnc2C)c3ccccc34)ccc5N6CCOCC6 |
InChI | InChI | 1.03 | InChI=1S/C26H23ClN6O3S/c1-17-28-29-26-20-7-3-2-6-19(20)25(30-33(17)26)18-10-11-23(32-12-14-36-15-13-32)22(16-18)31-37(34,35)24-9-5-4-8-21(24)27/h2-11,16,31H,12-15H2,1H3 |
InChIKey | InChI | 1.03 | WLUMGCPGWDQOSB-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Cc1nnc2n1nc(c3ccc(N4CCOCC4)c(N[S](=O)(=O)c5ccccc5Cl)c3)c6ccccc26 |
SMILES | CACTVS | 3.385 | Cc1nnc2n1nc(c3ccc(N4CCOCC4)c(N[S](=O)(=O)c5ccccc5Cl)c3)c6ccccc26 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | Cc1nnc2n1nc(c3c2cccc3)c4ccc(c(c4)NS(=O)(=O)c5ccccc5Cl)N6CCOCC6 |
SMILES | OpenEye OEToolkits | 1.7.6 | Cc1nnc2n1nc(c3c2cccc3)c4ccc(c(c4)NS(=O)(=O)c5ccccc5Cl)N6CCOCC6 |