種別 | プログラム | バージョン | 表記 |
SMILES | ACDLabs | 12.01 | c1ccc(cc1)C(Nc3oc2ccc(cc2n3)S(N)(=O)=O)=O |
InChI | InChI | 1.03 | InChI=1S/C14H11N3O4S/c15-22(19,20)10-6-7-12-11(8-10)16-14(21-12)17-13(18)9-4-2-1-3-5-9/h1-8H,(H2,15,19,20)(H,16,17,18) |
InChIKey | InChI | 1.03 | UWRXFOQPZCPECA-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | N[S](=O)(=O)c1ccc2oc(NC(=O)c3ccccc3)nc2c1 |
SMILES | CACTVS | 3.385 | N[S](=O)(=O)c1ccc2oc(NC(=O)c3ccccc3)nc2c1 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1ccc(cc1)C(=O)Nc2nc3cc(ccc3o2)S(=O)(=O)N |
SMILES | OpenEye OEToolkits | 2.0.6 | c1ccc(cc1)C(=O)Nc2nc3cc(ccc3o2)S(=O)(=O)N |