Chem
J-GLOBAL ID：201207038811892559   Nikkaji number：J3.072.663D

2-[3-[1-(Benzylsulfonyl)-4β-piperidylamino]phenyl]-3-bromo-5-(1H-tetrazole-5-yl)thiophene-4-yloxyacetic acid

2-[3-[1-(ベンジルスルホニル)-4β-ピペリジルアミノ]フェニル]-3-ブロモ-5-(1H-テトラゾール-5-イル)チオフェン-4-イルオキシ酢酸
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： C25H25BrN6O5S2
Molecular formula furigana： C25-H25-BR-N6-O5-S2
Molecular weight： 633.540
InChI： InChI=1S/C25H25BrN6O5S2/c26-21-22(37-14-20(33)34)24(25-28-30-31-29-25)38-23(21)17-7-4-8-19(13-17)27-18-9-11-32(12-10-18)39(35,36)15-16-5-2-1-3-6-16/h1-8,13,18,27H,9-12,14-15H2,(H,33,34)(H,28,29,30,31)
InChI key： XUNHAAXAXQCMHA-UHFFFAOYSA-N
SMILES： OC(=O)COc1c(Br)c(sc1c1nnn[nH]1)c1cccc(NC2CCN(CC2)S(=O)(=O)Cc2ccccc2)c1
Systematic name  (3)：
  • 2-[3-[1-(ベンジルスルホニル)-4β-ピペリジルアミノ]フェニル]-3-ブロモ-5-(1H-テトラゾール-5-イル)チオフェン-4-イルオキシ酢酸
  • 2-[(4-ブロモ-5-{3-[(1-フェニルメタンスルホニルピペリジン-4-イル)アミノ]フェニル}-2-(1H-1,2,3,4-テトラゾール-5-イル)チオフェン-3-イル)オキシ]酢酸
  • 2-[(4-bromo-5-{3-[(1-phenylmethanesulfonylpiperidin-4-yl)amino]phenyl}-2-(1H-1,2,3,4-tetrazol-5-yl)thiophen-3-yl)oxy]acetic acid
Other name (1)：
  • 2-[3-[1-(Benzylsulfonyl)-4β-piperidylamino]phenyl]-3-bromo-5-(1H-tetrazole-5-yl)thiophene-4-yloxyacetic acid
Thsaurus map：
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