Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=C(Nc1ccncc1)C(c2ccccc2)NS(=O)(=O)c3cccc4nsnc34 |
SMILES_CANONICAL | CACTVS | 3.341 | O=C(Nc1ccncc1)[C@@H](N[S](=O)(=O)c2cccc3nsnc23)c4ccccc4 |
SMILES | CACTVS | 3.341 | O=C(Nc1ccncc1)[CH](N[S](=O)(=O)c2cccc3nsnc23)c4ccccc4 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1ccc(cc1)[C@@H](C(=O)Nc2ccncc2)NS(=O)(=O)c3cccc4c3nsn4 |
SMILES | OpenEye OEToolkits | 1.5.0 | c1ccc(cc1)C(C(=O)Nc2ccncc2)NS(=O)(=O)c3cccc4c3nsn4 |
InChI | InChI | 1.03 | InChI=1S/C19H15N5O3S2/c25-19(21-14-9-11-20-12-10-14)17(13-5-2-1-3-6-13)24-29(26,27)16-8-4-7-15-18(16)23-28-22-15/h1-12,17,24H,(H,20,21,25)/t17-/m0/s1 |
InChIKey | InChI | 1.03 | ADRNPUSZBRQDBG-KRWDZBQOSA-N |