Chem
J-GLOBAL ID：201707015019056538   Nikkaji number：J3.522.333I

4-Oxo-4-(5-tosyl-2,3,4,5,6,9-hexahydro-7,8-didehydro-1H-1,5-diazonine-1-yl)butanoic acid

4-[5-(4-メチルベンゼンスルホニル)-1,5-ジアザシクロノナ-7-イン-1-イル]-4-オキソブタン酸
Substance type：
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula： C18H22N2O5S
Molecular formula furigana： C18-H22-N2-O5-S
Molecular weight： 378.440
InChI： InChI=1S/C18H22N2O5S/c1-15-5-7-16(8-6-15)26(24,25)20-13-3-2-11-19(12-4-14-20)17(21)9-10-18(22)23/h5-8H,4,9-14H2,1H3,(H,22,23)
InChI key： GXAZNIVCKZZIOG-UHFFFAOYSA-N
SMILES： Cc1ccc(cc1)S(=O)(=O)N1CCCN(CC#CC1)C(=O)CCC(=O)O
Systematic name  (3)：
  • 4-オキソ-4-(5-トシル-2,3,4,5,6,9-ヘキサヒドロ-7,8-ジデヒドロ-1H-1,5-ジアゾニン-1-イル)ブタン酸
  • 4-[5-(4-メチルベンゼンスルホニル)-1,5-ジアザシクロノナ-7-イン-1-イル]-4-オキソブタン酸
  • 4-[5-(4-methylbenzenesulfonyl)-1,5-diazacyclonon-7-yn-1-yl]-4-oxobutanoic acid
Other name (1)：
  • 4-Oxo-4-(5-tosyl-2,3,4,5,6,9-hexahydro-7,8-didehydro-1H-1,5-diazonine-1-yl)butanoic acid
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