種別 | プログラム | バージョン | 表記 |
SMILES | ACDLabs | 12.01 | CNS(=O)(=O)c1ccc2c(c1)cncc2NC(=O)C1(CCOc2ccc(Cl)cc21)OC |
InChI | InChI | 1.06 | InChI=1S/C21H20ClN3O5S/c1-23-31(27,28)15-4-5-16-13(9-15)11-24-12-18(16)25-20(26)21(29-2)7-8-30-19-6-3-14(22)10-17(19)21/h3-6,9-12,23H,7-8H2,1-2H3,(H,25,26)/t21-/m0/s1 |
InChIKey | InChI | 1.06 | MJNZSTCPXGKUKK-NRFANRHFSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CN[S](=O)(=O)c1ccc2c(NC(=O)[C@@]3(CCOc4ccc(Cl)cc34)OC)cncc2c1 |
SMILES | CACTVS | 3.385 | CN[S](=O)(=O)c1ccc2c(NC(=O)[C]3(CCOc4ccc(Cl)cc34)OC)cncc2c1 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CNS(=O)(=O)c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)OC |
SMILES | OpenEye OEToolkits | 2.0.7 | CNS(=O)(=O)c1ccc2c(c1)cncc2NC(=O)C3(CCOc4c3cc(cc4)Cl)OC |