Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | CS(=O)(=O)N1CC2(CN(C2)c2ccc(cn2)c2n[NH]c3ccc(cc32)OC(C)c2c(Cl)cncc2Cl)C1 |
InChI | InChI | 1.06 | InChI=1S/C25H24Cl2N6O3S/c1-15(23-19(26)9-28-10-20(23)27)36-17-4-5-21-18(7-17)24(31-30-21)16-3-6-22(29-8-16)32-11-25(12-32)13-33(14-25)37(2,34)35/h3-10,15H,11-14H2,1-2H3,(H,30,31)/t15-/m1/s1 |
InChIKey | InChI | 1.06 | JOAFWIHZEBKYQK-OAHLLOKOSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | C[C@@H](Oc1ccc2[nH]nc(c3ccc(nc3)N4CC5(C4)CN(C5)[S](C)(=O)=O)c2c1)c6c(Cl)cncc6Cl |
SMILES | CACTVS | 3.385 | C[CH](Oc1ccc2[nH]nc(c3ccc(nc3)N4CC5(C4)CN(C5)[S](C)(=O)=O)c2c1)c6c(Cl)cncc6Cl |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C[C@H](c1c(cncc1Cl)Cl)Oc2ccc3c(c2)c(n[nH]3)c4ccc(nc4)N5CC6(C5)CN(C6)S(=O)(=O)C |
SMILES | OpenEye OEToolkits | 2.0.7 | CC(c1c(cncc1Cl)Cl)Oc2ccc3c(c2)c(n[nH]3)c4ccc(nc4)N5CC6(C5)CN(C6)S(=O)(=O)C |