RZ1
概要
表記: | N-(2,2,3,3,4,4,5,5,5-nonafluoropentyl)-4-sulfamoylbenzamide |
組成式: | C12 H9 F9 N2 O3 S |
電荷: | 0 |
化学式量: | 432.262 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 | N-(2,2,3,3,4,4,5,5,5-nonafluoropentyl)-4-sulfamoylbenzamide |
OpenEye OEToolkits | 1.7.2 | N-[2,2,3,3,4,4,5,5,5-nonakis(fluoranyl)pentyl]-4-sulfamoyl-benzamide |
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 | O=S(=O)(N)c1ccc(C(=O)NCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc1 |
SMILES_CANONICAL | CACTVS | 3.370 | N[S](=O)(=O)c1ccc(cc1)C(=O)NCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F |
SMILES | CACTVS | 3.370 | N[S](=O)(=O)c1ccc(cc1)C(=O)NCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.2 | c1cc(ccc1C(=O)NCC(C(C(C(F)(F)F)(F)F)(F)F)(F)F)S(=O)(=O)N |
SMILES | OpenEye OEToolkits | 1.7.2 | c1cc(ccc1C(=O)NCC(C(C(C(F)(F)F)(F)F)(F)F)(F)F)S(=O)(=O)N |
InChI | InChI | 1.03 | InChI=1S/C12H9F9N2O3S/c13-9(14,10(15,16)11(17,18)12(19,20)21)5-23-8(24)6-1-3-7(4-2-6)27(22,25)26/h1-4H,5H2,(H,23,24)(H2,22,25,26) |
InChIKey | InChI | 1.03 | OHMRMSKDZFRLDB-UHFFFAOYSA-N |