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SMILES: c1(C(=O)N2[C@@H]3[C@@H](CS(=O)(=O)C3)N(CC2)CC)c(c(c(=O)[nH]c1)C#N)C Canonical SMILES: CCN1CCN([C@@H]2[C@H]1CS(=O)(=O)C2)C(=O)c1c[nH]c(=O)c(c1C)C#N InChI: InChI=1S/C16H20N4O4S/c1-3-19-4-5-20(14-9-25(23,24)8-13(14)19)16(22)12-7-18-15(21)11(6-17)10(12)2/h7,13-14H,3-5,8-9H2,1-2H3,(H,18,21)/t13-,14+/m1/s1 InChIKey: GPFJBYGPQDFIBW-KGLIPLIRSA-N
CBID:450113 http://www.chembase.cn/molecule-450113.html