Chem
J-GLOBAL ID:200907017224133243
Nikkaji number:J2.727.775F
2-[2-Carboxy-4-bromo-5-[3-[1-(benzylsulfonyl)piperidine-4-ylamino]phenyl]-3-thienyloxy]acetic acid
2-[2-カルボキシ-4-ブロモ-5-[3-[1-(ベンジルスルホニル)ピペリジン-4-イルアミノ]フェニル]-3-チエニルオキシ]酢酸
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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:
C25 H25 BrN2 O7 S2
Molecular formula furigana:
C25-H25-BR-N2-O7-S2
Molecular weight:
609.510
InChI:
InChI=1S/C25H25BrN2O7S2/c26-21-22(35-14-20(29)30)24(25(31)32)36-23(21)17-7-4-8-19(13-17)27-18-9-11-28(12-10-18)37(33,34)15-16-5-2-1-3-6-16/h1-8,13,18,27H,9-12,14-15H2,(H,29,30)(H,31,32)
InChI key:
FEPAAIQAIYOLJA-UHFFFAOYSA-N
SMILES:
OC(=O)COc1c(Br)c(sc1C(=O)O)c1cccc(NC2CCN(CC2)S(=O)(=O)Cc2ccccc2)c1
Systematic name (3):
2-[2-カルボキシ-4-ブロモ-5-[3-[1-(ベンジルスルホニル)ピペリジン-4-イルアミノ]フェニル]-3-チエニルオキシ]酢酸
4-ブロモ-3-(カルボキシメトキシ)-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}チオフェン-2-カルボン酸
4-bromo-3-(carboxymethoxy)-5-{3-[(1-phenylmethanesulfonylpiperidin-4-yl)amino]phenyl}thiophene-2-carboxylic acid
Other name (1):
2-[2-Carboxy-4-bromo-5-[3-[1-(benzylsulfonyl)piperidine-4-ylamino]phenyl]-3-thienyloxy]acetic acid
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