Chem
J-GLOBAL ID:200907027227280145   Nikkaji number:J1.826.363G

3-(Methylsulfonyl)-4-(3-methyl-5-chlorobenzo[b]thiophene-2-ylsulfonylamino)benzoic acid methyl ester

メチル 4-(5-クロロ-3-メチル-1-ベンゾチオフェン-2-スルホンアミド)-3-メタンスルホニルベンゾアート
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: C18H16ClNO6S3
Molecular formula furigana: C18-H16-CL-N-O6-S3
Molecular weight: 473.960
InChI: InChI=1S/C18H16ClNO6S3/c1-10-13-9-12(19)5-7-15(13)27-18(10)29(24,25)20-14-6-4-11(17(21)26-2)8-16(14)28(3,22)23/h4-9,20H,1-3H3
InChI key: NYWZIWQEQFOYGG-UHFFFAOYSA-N
SMILES: COC(=O)c1ccc(NS(=O)(=O)c2sc3ccc(Cl)cc3c2C)c(c1)S(=O)(=O)C
Systematic name  (4):
  • 3-(メチルスルホニル)-4-[[(3-メチル-5-クロロベンゾ[b]チオフェン-2-イル)スルホニル]アミノ]安息香酸メチル
  • 3-(メチルスルホニル)-4-(3-メチル-5-クロロベンゾ[b]チオフェン-2-イルスルホニルアミノ)安息香酸メチル
  • メチル 4-(5-クロロ-3-メチル-1-ベンゾチオフェン-2-スルホンアミド)-3-メタンスルホニルベンゾアート
  • methyl 4-(5-chloro-3-methyl-1-benzothiophene-2-sulfonamido)-3-methanesulfonylbenzoate
Other name (2):
  • 3-(Methylsulfonyl)-4-[[(3-methyl-5-chlorobenzo[b]thiophene-2-yl)sulfonyl]amino]benzoic acid methyl ester
  • 3-(Methylsulfonyl)-4-(3-methyl-5-chlorobenzo[b]thiophene-2-ylsulfonylamino)benzoic acid methyl ester
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