Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | CCNS(=O)(c2ccc1N(C(c3c1c2ccc3)=O)CC)=O |
InChI | InChI | 1.03 | InChI=1S/C15H16N2O3S/c1-3-16-21(19,20)13-9-8-12-14-10(13)6-5-7-11(14)15(18)17(12)4-2/h5-9,16H,3-4H2,1-2H3 |
InChIKey | InChI | 1.03 | AQNBGQLJCYVCBR-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CCN[S](=O)(=O)c1ccc2N(CC)C(=O)c3cccc1c23 |
SMILES | CACTVS | 3.385 | CCN[S](=O)(=O)c1ccc2N(CC)C(=O)c3cccc1c23 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | CCNS(=O)(=O)c1ccc2c3c1cccc3C(=O)N2CC |
SMILES | OpenEye OEToolkits | 1.9.2 | CCNS(=O)(=O)c1ccc2c3c1cccc3C(=O)N2CC |