Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=S(=O)(O)c3cccc2cccc(Nc1ccccc1)c23 |
SMILES_CANONICAL | CACTVS | 3.370 | O[S](=O)(=O)c1cccc2cccc(Nc3ccccc3)c12 |
SMILES | CACTVS | 3.370 | O[S](=O)(=O)c1cccc2cccc(Nc3ccccc3)c12 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | c1ccc(cc1)Nc2cccc3c2c(ccc3)S(=O)(=O)O |
SMILES | OpenEye OEToolkits | 1.7.0 | c1ccc(cc1)Nc2cccc3c2c(ccc3)S(=O)(=O)O |
InChI | InChI | 1.03 | InChI=1S/C16H13NO3S/c18-21(19,20)15-11-5-7-12-6-4-10-14(16(12)15)17-13-8-2-1-3-9-13/h1-11,17H,(H,18,19,20) |
InChIKey | InChI | 1.03 | FWEOQOXTVHGIFQ-UHFFFAOYSA-N |