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DACN(Tos,Mal)
| Catalog Number | CCR2411082283 |
| CAS | 2411082-28-3 |
| IUPAC Name | 1-[4-[5-(4-Methylphenyl)sulfonyl-1,5-diazacyclonon-7-yn-1-yl]-4-oxobutyl]pyrrole-2,5-dione |
| Molecular Weight | 443.5 |
| Molecular Formula | C22H25N3O5S |
| Canonical SMILES | CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC#CC2)C(=O)CCCN3C(=O)C=CC3=O |
| InChI | InChI=1S/C22H25N3O5S/c1-18-7-9-19(10-8-18)31(29,30)24-15-3-2-13-23(14-5-16-24)20(26)6-4-17-25-21(27)11-12-22(25)28/h7-12H,4-6,13-17H2,1H3 |
| InChI Key | KDWOODHHRYVLSK-UHFFFAOYSA-N |
| Application | SPAAC & SPANC Click Reaction |
| Complexity | 882 |
| Exact Mass | 443.15149208 |
| Monoisotopic Mass | 443.15149208 |
| Topological Polar Surface Area | 103Ų |
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