basic_info |
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| Product_Name： | 4-(1,4-DIAZEPANE-1-SULFONYL)BENZONITRILE |
| EnglishSynonyms： | 4-(1,4-DIAZEPANE-1-SULFONYL)BENZONITRILE |
| pro_mdlNumber： | MFCD11117844 |
| pro_acceptors： | 5 |
| pro_donors： | 1 |
| pro_smile： | c1cc(ccc1C#N)S(=O)(=O)N2CCCNCC2 |
| InChi： | InChI=1S/C12H15N3O2S/c13-10-11-2-4-12(5-3-11)18(16,17)15-8-1-6-14-7-9-15/h2-5,14H,1,6-9H2 |
| InChiKey： | InChIKey=PWVFMYSTQAGRSN-UHFFFAOYSA-N |
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