Type | Program | Version | Descriptor |
InChI | InChI | 1.03 | InChI=1S/C23H19N3O6S/c1-15(27)21(22(28)16-8-3-2-4-9-16)25-24-17-10-7-11-18(14-17)33(31,32)26-20-13-6-5-12-19(20)23(29)30/h2-14,24,26H,1H3,(H,29,30)/b25-21+ |
InChIKey | InChI | 1.03 | SOWABNTWBBBOPH-NJNXFGOHSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CC(=O)C(=N\Nc1cccc(c1)[S](=O)(=O)Nc2ccccc2C(O)=O)/C(=O)c3ccccc3 |
SMILES | CACTVS | 3.385 | CC(=O)C(=NNc1cccc(c1)[S](=O)(=O)Nc2ccccc2C(O)=O)C(=O)c3ccccc3 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(=O)/C(=N\Nc1cccc(c1)S(=O)(=O)Nc2ccccc2C(=O)O)/C(=O)c3ccccc3 |
SMILES | OpenEye OEToolkits | 2.0.7 | CC(=O)C(=NNc1cccc(c1)S(=O)(=O)Nc2ccccc2C(=O)O)C(=O)c3ccccc3 |