2J9
概要
| 表記: | 4-cyclopropyl-7-fluoro-3,4-dihydro-2H-1,2,4-benzothiadiazine 1,1-dioxide |
| 組成式: | C10 H11 F N2 O2 S |
| 電荷: | 0 |
| 化学式量: | 242.27 Da |
| 分子種別: | NON-POLYMER |
化合物名
| プログラム | バージョン | 表記 |
| ACDLabs | 12.01 | 4-cyclopropyl-7-fluoro-3,4-dihydro-2H-1,2,4-benzothiadiazine 1,1-dioxide |
| OpenEye OEToolkits | 1.7.6 | 4-cyclopropyl-7-fluoranyl-2,3-dihydro-1$l^{6},2,4-benzothiadiazine 1,1-dioxide |
化合物記述子（線形表記）
| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 12.01 | Fc1ccc2c(c1)S(=O)(=O)NCN2C3CC3 |
| InChI | InChI | 1.03 | InChI=1S/C10H11FN2O2S/c11-7-1-4-9-10(5-7)16(14,15)12-6-13(9)8-2-3-8/h1,4-5,8,12H,2-3,6H2 |
| InChIKey | InChI | 1.03 | FLTMTBPCYAZIKM-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Fc1ccc2N(CN[S](=O)(=O)c2c1)C3CC3 |
| SMILES | CACTVS | 3.385 | Fc1ccc2N(CN[S](=O)(=O)c2c1)C3CC3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1cc2c(cc1F)S(=O)(=O)NCN2C3CC3 |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1cc2c(cc1F)S(=O)(=O)NCN2C3CC3 |
