Chem
J-GLOBAL ID:201707006192773904   Nikkaji number:J3.580.734I

1-(3-Amidinobenzyl)-4-[(6-chlorobenzo[b]thiophene-2-yl)sulfonyl]piperazine-2-one

1-(3-アミジノベンジル)-4-[(6-クロロベンゾ[b]チオフェン-2-イル)スルホニル]ピペラジン-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: C20H19ClN4O3S2
Molecular formula furigana: C20-H19-CL-N4-O3-S2
Molecular weight: 462.970
InChI: InChI=1S/C20H19ClN4O3S2/c21-16-5-4-14-9-19(29-17(14)10-16)30(27,28)25-7-6-24(18(26)12-25)11-13-2-1-3-15(8-13)20(22)23/h1-5,8-10H,6-7,11-12H2,(H3,22,23)
InChI key: PRMSFVUWLBPPLY-UHFFFAOYSA-N
SMILES: NC(=N)c1cccc(CN2CCN(CC2=O)S(=O)(=O)c2cc3ccc(Cl)cc3s2)c1
Systematic name  (3):
  • 1-(3-アミジノベンジル)-4-[(6-クロロベンゾ[b]チオフェン-2-イル)スルホニル]ピペラジン-2-オン
  • 3-({4-[(6-クロロ-1-ベンゾチオフェン-2-イル)スルホニル]-2-オキソピペラジン-1-イル}メチル)ベンゼン-1-カルボキシミドアミド
  • 3-({4-[(6-chloro-1-benzothiophen-2-yl)sulfonyl]-2-oxopiperazin-1-yl}methyl)benzene-1-carboximidamide
Other name (1):
  • 1-(3-Amidinobenzyl)-4-[(6-chlorobenzo[b]thiophene-2-yl)sulfonyl]piperazine-2-one
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