basic_info |
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| Product_Name: | 1-PIPERAZINECARBOXYLIC ACID, 4-[1-(PHENYLSULFONYL)-1H-PYRROLO[2,3-B]PYRIDIN-3-YL]-, 1,1-DIMETHYLETHYL ESTER |
| CAS: | 947498-94-4 |
| EnglishSynonyms: | 1-PIPERAZINECARBOXYLIC ACID, 4-[1-(PHENYLSULFONYL)-1H-PYRROLO[2,3-B]PYRIDIN-3-YL]-, 1,1-DIMETHYLETHYL ESTER |
| pro_mdlNumber: | MFCD16039180 |
| pro_acceptors: | 8 |
| pro_donors: | 0 |
| pro_smile: | CC(C)(C)OC(=O)N1CCN(CC1)c2cn(c3c2cccn3)S(=O)(=O)c4ccccc4 |
| InChi: | InChI=1S/C22H26N4O4S/c1-22(2,3)30-21(27)25-14-12-24(13-15-25)19-16-26(20-18(19)10-7-11-23-20)31(28,29)17-8-5-4-6-9-17/h4-11,16H,12-15H2,1-3H3 |
| InChiKey: | InChIKey=HIYKHLLLVOSDQH-UHFFFAOYSA-N |
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