Chem
J-GLOBAL ID：200907024439894870   Nikkaji number：J896.540D

N-(4-Methoxybenzyl)-2,4,4′-trinitro-N′-benzyl-[N,N′-(1,3-propanediyl)bis(benzenesulfonamide)]

N-(4-メトキシベンジル)-2,4,4′-トリニトロ-N′-ベンジル-[N,N′-(1,3-プロパンジイル)ビス(ベンゼンスルホンアミド)]
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： C30H29N2[N+]3O8[O-]3S2
Molecular formula furigana： C30-H29-N5-O11-S2
Molecular weight： 699.710
InChI： InChI=1S/C30H29N5O11S2/c1-46-27-13-8-24(9-14-27)22-32(48(44,45)30-17-12-26(34(38)39)20-29(30)35(40)41)19-5-18-31(21-23-6-3-2-4-7-23)47(42,43)28-15-10-25(11-16-28)33(36)37/h2-4,6-17,20H,5,18-19,21-22H2,1H3
InChI key： ARNRWEFZJWILJL-UHFFFAOYSA-N
SMILES： COc1ccc(CN(CCCN(Cc2ccccc2)S(=O)(=O)c2ccc(cc2)[N+](=O)[O-])S(=O)(=O)c2ccc(cc2[N+](=O)[O-])[N+](=O)[O-])cc1
Systematic name  (3)：
  • N-(4-メトキシベンジル)-2,4,4′-トリニトロ-N′-ベンジル-[N,N′-(1,3-プロパンジイル)ビス(ベンゼンスルホンアミド)]
  • N-ベンジル-N-(3-{N-[(4-メトキシフェニル)メチル]2,4-ジニトロベンゼンスルホンアミド}プロピル)-4-ニトロベンゼン-1-スルホンアミド
  • N-benzyl-N-(3-{N-[(4-methoxyphenyl)methyl]2,4-dinitrobenzenesulfonamido}propyl)-4-nitrobenzene-1-sulfonamide
Other name (1)：
  • N-(4-Methoxybenzyl)-2,4,4′-trinitro-N′-benzyl-[N,N′-(1,3-propanediyl)bis(benzenesulfonamide)]
Thsaurus map：
Thesaurus Map

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