Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=S(=O)(O)c1cc\2c(cc1)NC(=O)C/2=C4\C(=O)c3ccccc3N4 |
SMILES_CANONICAL | CACTVS | 3.341 | O[S](=O)(=O)c1ccc2NC(=O)\C(=C3/Nc4ccccc4C3=O)c2c1 |
SMILES | CACTVS | 3.341 | O[S](=O)(=O)c1ccc2NC(=O)C(=C3Nc4ccccc4C3=O)c2c1 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1ccc2c(c1)C(=O)/C(=C/3\c4cc(ccc4NC3=O)S(=O)(=O)O)/N2 |
SMILES | OpenEye OEToolkits | 1.5.0 | c1ccc2c(c1)C(=O)C(=C3c4cc(ccc4NC3=O)S(=O)(=O)O)N2 |
InChI | InChI | 1.03 | InChI=1S/C16H10N2O5S/c19-15-9-3-1-2-4-11(9)17-14(15)13-10-7-8(24(21,22)23)5-6-12(10)18-16(13)20/h1-7,17H,(H,18,20)(H,21,22,23)/b14-13- |
InChIKey | InChI | 1.03 | IHBOEHLUIBMBMY-YPKPFQOOSA-N |