Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=S(=O)(NC1CC1)N1Cc2ccc(Cl)cc2C(C1)C(=O)Nc1cncc2ccccc21 |
InChI | InChI | 1.06 | InChI=1S/C22H21ClN4O3S/c23-16-6-5-15-12-27(31(29,30)26-17-7-8-17)13-20(19(15)9-16)22(28)25-21-11-24-10-14-3-1-2-4-18(14)21/h1-6,9-11,17,20,26H,7-8,12-13H2,(H,25,28)/t20-/m1/s1 |
InChIKey | InChI | 1.06 | XGZIABVELMXRKW-HXUWFJFHSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Clc1ccc2CN(C[C@@H](C(=O)Nc3cncc4ccccc34)c2c1)[S](=O)(=O)NC5CC5 |
SMILES | CACTVS | 3.385 | Clc1ccc2CN(C[CH](C(=O)Nc3cncc4ccccc34)c2c1)[S](=O)(=O)NC5CC5 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc2c(c1)cncc2NC(=O)[C@@H]3CN(Cc4c3cc(cc4)Cl)S(=O)(=O)NC5CC5 |
SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc2c(c1)cncc2NC(=O)C3CN(Cc4c3cc(cc4)Cl)S(=O)(=O)NC5CC5 |