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SMILES: n1cnc2c(c1N[C@@H]1c3c(CC1)cccc3)ccn2[C@H]1C[C@H]([C@@H](C1)COS(=O)(=O)N)O Canonical SMILES: O[C@@H]1C[C@@H](C[C@H]1COS(=O)(=O)N)n1ccc2c1ncnc2N[C@H]1CCc2c1cccc2 InChI: InChI=1S/C21H25N5O4S/c22-31(28,29)30-11-14-9-15(10-19(14)27)26-8-7-17-20(23-12-24-21(17)26)25-18-6-5-13-3-1-2-4-16(13)18/h1-4,7-8,12,14-15,18-19,27H,5-6,9-11H2,(H2,22,28,29)(H,23,24,25)/t14-,15+,18-,19+/m0/s1 InChIKey: MPUQHZXIXSTTDU-QGWWYQLQSA-N
CBID:174668 http://www.chembase.cn/molecule-174668.html