UN3
概要
| 表記: | (2-METHYL-5-PHENYL-2H-PYRAZOL-3-YL)-SULFAMIC ACID |
| 別名: | 1-METHYL-3-PHENYL-1H-PYRAZOL-5-YLSULFAMIC ACID |
| 組成式: | C10 H11 N3 O3 S |
| 電荷: | 0 |
| 化学式量: | 253.278 Da |
| 分子種別: | NON-POLYMER |
化合物名
| プログラム | バージョン | 表記 |
| ACDLabs | 10.04 | (1-methyl-3-phenyl-1H-pyrazol-5-yl)sulfamic acid |
| OpenEye OEToolkits | 1.5.0 | (2-methyl-5-phenyl-pyrazol-3-yl)sulfamic acid |
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 | 10.04 | O=S(=O)(O)Nc1cc(nn1C)c2ccccc2 |
| SMILES_CANONICAL | CACTVS | 3.341 | Cn1nc(cc1N[S](O)(=O)=O)c2ccccc2 |
| SMILES | CACTVS | 3.341 | Cn1nc(cc1N[S](O)(=O)=O)c2ccccc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | Cn1c(cc(n1)c2ccccc2)NS(=O)(=O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | Cn1c(cc(n1)c2ccccc2)NS(=O)(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C10H11N3O3S/c1-13-10(12-17(14,15)16)7-9(11-13)8-5-3-2-4-6-8/h2-7,12H,1H3,(H,14,15,16) |
| InChIKey | InChI | 1.03 | OTZLVSGSRPNRFT-UHFFFAOYSA-N |
