Type | Program | Version | Descriptor |
InChI | InChI | 1.06 | InChI=1S/C19H20N2O3S/c1-3-21-18-10-9-15(12-17(18)14(2)11-19(21)22)13-20-25(23,24)16-7-5-4-6-8-16/h4-12,20H,3,13H2,1-2H3 |
InChIKey | InChI | 1.06 | ZRTFSGAREQNMFJ-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CCN1C(=O)C=C(C)c2cc(CN[S](=O)(=O)c3ccccc3)ccc12 |
SMILES | CACTVS | 3.385 | CCN1C(=O)C=C(C)c2cc(CN[S](=O)(=O)c3ccccc3)ccc12 |
SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | CCN1c2ccc(cc2C(=CC1=O)C)CNS(=O)(=O)c3ccccc3 |
SMILES | OpenEye OEToolkits | 3.1.0.0 | CCN1c2ccc(cc2C(=CC1=O)C)CNS(=O)(=O)c3ccccc3 |