Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=C1C(\SC(=[N@H])N1)=C\c3oc(c2ccc(cc2)S(=O)(=O)NC)cc3 |
SMILES_CANONICAL | CACTVS | 3.341 | CN[S](=O)(=O)c1ccc(cc1)c2oc(cc2)\C=C3/SC(=N)NC3=O |
SMILES | CACTVS | 3.341 | CN[S](=O)(=O)c1ccc(cc1)c2oc(cc2)C=C3SC(=N)NC3=O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | [H]/N=C/1\NC(=O)/C(=C/c2ccc(o2)c3ccc(cc3)S(=O)(=O)NC)/S1 |
SMILES | OpenEye OEToolkits | 1.5.0 | [H]N=C1NC(=O)C(=Cc2ccc(o2)c3ccc(cc3)S(=O)(=O)NC)S1 |
InChI | InChI | 1.03 | InChI=1S/C15H13N3O4S2/c1-17-24(20,21)11-5-2-9(3-6-11)12-7-4-10(22-12)8-13-14(19)18-15(16)23-13/h2-8,17H,1H3,(H2,16,18,19)/b13-8- |
InChIKey | InChI | 1.03 | FJJJERLTHDXEPT-JYRVWZFOSA-N |