Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | Brc2c1c(cccc1)c(cc2)S(=O)(=O)NCc3ncccc3 |
SMILES_CANONICAL | CACTVS | 3.370 | Brc1ccc(c2ccccc12)[S](=O)(=O)NCc3ccccn3 |
SMILES | CACTVS | 3.370 | Brc1ccc(c2ccccc12)[S](=O)(=O)NCc3ccccn3 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | c1ccc2c(c1)c(ccc2Br)S(=O)(=O)NCc3ccccn3 |
SMILES | OpenEye OEToolkits | 1.7.0 | c1ccc2c(c1)c(ccc2Br)S(=O)(=O)NCc3ccccn3 |
InChI | InChI | 1.03 | InChI=1S/C16H13BrN2O2S/c17-15-8-9-16(14-7-2-1-6-13(14)15)22(20,21)19-11-12-5-3-4-10-18-12/h1-10,19H,11H2 |
InChIKey | InChI | 1.03 | GJSDYQXOSHKOGX-UHFFFAOYSA-N |