Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=S(=O)(Nc1c(nn(c1C)C)C)c2c(cc(OC)c(c2C)C)C |
InChI | InChI | 1.03 | InChI=1S/C16H23N3O3S/c1-9-8-14(22-7)10(2)11(3)16(9)23(20,21)18-15-12(4)17-19(6)13(15)5/h8,18H,1-7H3 |
InChIKey | InChI | 1.03 | FHWPTZQYVNRXMX-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.370 | COc1cc(C)c(c(C)c1C)[S](=O)(=O)Nc2c(C)nn(C)c2C |
SMILES | CACTVS | 3.370 | COc1cc(C)c(c(C)c1C)[S](=O)(=O)Nc2c(C)nn(C)c2C |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.2 | Cc1cc(c(c(c1S(=O)(=O)Nc2c(nn(c2C)C)C)C)C)OC |
SMILES | OpenEye OEToolkits | 1.7.2 | Cc1cc(c(c(c1S(=O)(=O)Nc2c(nn(c2C)C)C)C)C)OC |