Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | N#Cc2ccc(c1ccc(cc1)C(CNS(=O)(=O)C(C)C)C)cc2 |
InChI | InChI | 1.03 | InChI=1S/C19H22N2O2S/c1-14(2)24(22,23)21-13-15(3)17-8-10-19(11-9-17)18-6-4-16(12-20)5-7-18/h4-11,14-15,21H,13H2,1-3H3/t15-/m0/s1 |
InChIKey | InChI | 1.03 | HOQAVGZLYRYHSO-HNNXBMFYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CC(C)[S](=O)(=O)NC[C@H](C)c1ccc(cc1)c2ccc(cc2)C#N |
SMILES | CACTVS | 3.385 | CC(C)[S](=O)(=O)NC[CH](C)c1ccc(cc1)c2ccc(cc2)C#N |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | C[C@@H](CNS(=O)(=O)C(C)C)c1ccc(cc1)c2ccc(cc2)C#N |
SMILES | OpenEye OEToolkits | 1.7.6 | CC(C)S(=O)(=O)NCC(C)c1ccc(cc1)c2ccc(cc2)C#N |