Chem
J-GLOBAL ID：200907014873806851   Nikkaji number：J1.779.046C

4-Methyl-5,9,15-tris(2-nitrophenylsulfonyl)-1,5,9,15-tetraazacyclooctadecane-2-one

4-メチル-5,9,15-トリス(2-ニトロフェニルスルホニル)-1,5,9,15-テトラアザシクロオクタデカン-2-オン
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： C33H41N4[N+]3O10[O-]3S3
Molecular formula furigana： C33-H41-N7-O13-S3
Molecular weight： 839.910
InChI： InChI=1S/C33H41N7O13S3/c1-26-25-33(41)34-19-11-22-35(54(48,49)30-16-6-3-13-27(30)38(42)43)20-9-2-10-21-36(55(50,51)31-17-7-4-14-28(31)39(44)45)23-12-24-37(26)56(52,53)32-18-8-5-15-29(32)40(46)47/h3-8,13-18,26H,2,9-12,19-25H2,1H3,(H,34,41)
InChI key： SWWYIQRWIJVNSL-UHFFFAOYSA-N
SMILES： CC1CC(=O)NCCCN(CCCCCN(CCCN1S(=O)(=O)c1ccccc1[N+](=O)[O-])S(=O)(=O)c1ccccc1[N+](=O)[O-])S(=O)(=O)c1ccccc1[N+](=O)[O-]
Systematic name  (3)：
  • 4-メチル-5,9,15-トリス(2-ニトロフェニルスルホニル)-1,5,9,15-テトラアザシクロオクタデカン-2-オン
  • 8-メチル-1,9,13-トリス(2-ニトロベンゼンスルホニル)-1,5,9,13-テトラアザシクロオクタデカン-6-オン
  • 8-methyl-1,9,13-tris(2-nitrobenzenesulfonyl)-1,5,9,13-tetraazacyclooctadecan-6-one
Other name (1)：
  • 4-Methyl-5,9,15-tris(2-nitrophenylsulfonyl)-1,5,9,15-tetraazacyclooctadecane-2-one
Thsaurus map：
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