Chem
J-GLOBAL ID：200907044773759364
Nikkaji number：J1.597.935F
1-Allyl-2-[(2S)-2-(4-nitrophenylsulfonylamino)propionyl]-5,8-dibromo-6,7-dimethoxy-1,2-dihydroisoquinoline
1-アリル-2-[(2S)-2-(4-ニトロフェニルスルホニルアミノ)プロピオニル]-5,8-ジブロモ-6,7-ジメトキシ-1,2-ジヒドロイソキノリン
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
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
Molecular formula： C23H23Br2N2[N+]O6[O-]S
Molecular formula furigana： C23-H23-BR2-N3-O7-S
Molecular weight： 645.320
InChI：
InChI=1S/C23H23Br2N3O7S/c1-5-6-17-18-16(19(24)21(34-3)22(35-4)20(18)25)11-12-27(17)23(29)13(2)26-36(32,33)15-9-7-14(8-10-15)28(30)31/h5,7-13,17,26H,1,6H2,2-4H3/t13-,17?/m0/s1
InChI key：
ALXMYXBPDPKFMT-CWQZNGJJSA-N
SMILES：
COc1c(Br)c2C=CN(C(CC=C)c2c(Br)c1OC)C(=O)[C@H](C)NS(=O)(=O)c1ccc(cc1)[N+](=O)[O-]
Systematic name (3)：
- 1-アリル-2-[(2S)-2-(4-ニトロフェニルスルホニルアミノ)プロピオニル]-5,8-ジブロモ-6,7-ジメトキシ-1,2-ジヒドロイソキノリン
- N-[(2S)-1-[5,8-ジブロモ-6,7-ジメトキシ-1-(プロパ-2-エン-1-イル)-1,2-ジヒドロイソキノリン-2-イル]-1-オキソプロパン-2-イル]-4-ニトロベンゼン-1-スルホンアミド
- N-[(2S)-1-[5,8-dibromo-6,7-dimethoxy-1-(prop-2-en-1-yl)-1,2-dihydroisoquinolin-2-yl]-1-oxopropan-2-yl]-4-nitrobenzene-1-sulfonamide
- 1-Allyl-2-[(2S)-2-(4-nitrophenylsulfonylamino)propionyl]-5,8-dibromo-6,7-dimethoxy-1,2-dihydroisoquinoline
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