Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=S(=O)(Nc1ncccc1)c3ccc(/N=N/c2cc(C(=O)O)c(O)cc2)cc3 |
SMILES_CANONICAL | CACTVS | 3.341 | OC(=O)c1cc(ccc1O)N=Nc2ccc(cc2)[S](=O)(=O)Nc3ccccn3 |
SMILES | CACTVS | 3.341 | OC(=O)c1cc(ccc1O)N=Nc2ccc(cc2)[S](=O)(=O)Nc3ccccn3 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1ccnc(c1)NS(=O)(=O)c2ccc(cc2)/N=N/c3ccc(c(c3)C(=O)O)O |
SMILES | OpenEye OEToolkits | 1.5.0 | c1ccnc(c1)NS(=O)(=O)c2ccc(cc2)N=Nc3ccc(c(c3)C(=O)O)O |
InChI | InChI | 1.03 | InChI=1S/C18H14N4O5S/c23-16-9-6-13(11-15(16)18(24)25)21-20-12-4-7-14(8-5-12)28(26,27)22-17-3-1-2-10-19-17/h1-11,23H,(H,19,22)(H,24,25)/b21-20+ |
InChIKey | InChI | 1.03 | NCEXYHBECQHGNR-QZQOTICOSA-N |