Chem
J-GLOBAL ID：200907027187851497   Nikkaji number：J1.597.910K

2-[2-[(4-Nitrophenyl)sulfonylamino]propionyl]-4-bromo-1,2-dihydroisoquinoline-1-acetic acid benzyl ester

2-[2-[(4-ニトロフェニル)スルホニルアミノ]プロピオニル]-4-ブロモ-1,2-ジヒドロイソキノリン-1-酢酸ベンジル
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： C27H24BrN2[N+]O6[O-]S
Molecular formula furigana： C27-H24-BR-N3-O7-S
Molecular weight： 614.470
InChI： InChI=1S/C27H24BrN3O7S/c1-18(29-39(36,37)21-13-11-20(12-14-21)31(34)35)27(33)30-16-24(28)22-9-5-6-10-23(22)25(30)15-26(32)38-17-19-7-3-2-4-8-19/h2-14,16,18,25,29H,15,17H2,1H3
InChI key： YFUGIIUEFNTJKO-UHFFFAOYSA-N
SMILES： CC(NS(=O)(=O)c1ccc(cc1)[N+](=O)[O-])C(=O)N1C=C(Br)c2ccccc2C1CC(=O)OCc1ccccc1
Systematic name  (3)：
  • 2-[2-[(4-ニトロフェニル)スルホニルアミノ]プロピオニル]-4-ブロモ-1,2-ジヒドロイソキノリン-1-酢酸ベンジル
  • ベンジル 2-{4-ブロモ-2-[2-(4-ニトロベンゼンスルホンアミド)プロパノイル]-1,2-ジヒドロイソキノリン-1-イル}アセタート
  • benzyl 2-{4-bromo-2-[2-(4-nitrobenzenesulfonamido)propanoyl]-1,2-dihydroisoquinolin-1-yl}acetate
Other name (1)：
  • 2-[2-[(4-Nitrophenyl)sulfonylamino]propionyl]-4-bromo-1,2-dihydroisoquinoline-1-acetic acid benzyl ester
Thsaurus map：
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