Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=S(=O)(c1ccc(cc1)C)N(c3ccnn3c2ccccc2)C |
SMILES_CANONICAL | CACTVS | 3.341 | CN(c1ccnn1c2ccccc2)[S](=O)(=O)c3ccc(C)cc3 |
SMILES | CACTVS | 3.341 | CN(c1ccnn1c2ccccc2)[S](=O)(=O)c3ccc(C)cc3 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | Cc1ccc(cc1)S(=O)(=O)[N@](C)c2ccnn2c3ccccc3 |
SMILES | OpenEye OEToolkits | 1.5.0 | Cc1ccc(cc1)S(=O)(=O)N(C)c2ccnn2c3ccccc3 |
InChI | InChI | 1.03 | InChI=1S/C17H17N3O2S/c1-14-8-10-16(11-9-14)23(21,22)19(2)17-12-13-18-20(17)15-6-4-3-5-7-15/h3-13H,1-2H3 |
InChIKey | InChI | 1.03 | KRHPBWNETCEFGS-UHFFFAOYSA-N |