Chem
J-GLOBAL ID：200907002890983220   Nikkaji number：J2.012.487C

N-[6-(Dihydroxyphosphinyldifluoromethyl)-2-naphthylcarbonyl]-3-(1-ethyl-2-pyrrolidinylmethylcarbamoyl)-4-methoxybenzenesulfonamide

N-[6-(ジヒドロキシホスフィニルジフルオロメチル)-2-ナフチルカルボニル]-3-(1-エチル-2-ピロリジニルメチルカルバモイル)-4-メトキシベンゼンスルホンアミド
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： C27H30F2N3O8PS
Molecular formula furigana： C27-H30-F2-N3-O8-P-S
Molecular weight： 625.580
InChI： InChI=1S/C27H30F2N3O8PS/c1-3-32-12-4-5-21(32)16-30-26(34)23-15-22(10-11-24(23)40-2)42(38,39)31-25(33)19-7-6-18-14-20(9-8-17(18)13-19)27(28,29)41(35,36)37/h6-11,13-15,21H,3-5,12,16H2,1-2H3,(H,30,34)(H,31,33)(H2,35,36,37)
InChI key： MUKLVGWLLLQZPD-UHFFFAOYSA-N
SMILES： CCN1CCCC1CNC(=O)c1cc(ccc1OC)S(=O)(=O)NC(=O)c1ccc2cc(ccc2c1)C(F)(F)P(=O)(O)O
Systematic name  (3)：
  • N-[6-(ジヒドロキシホスフィニルジフルオロメチル)-2-ナフチルカルボニル]-3-(1-エチル-2-ピロリジニルメチルカルバモイル)-4-メトキシベンゼンスルホンアミド
  • ({6-[(3-{[(1-エチルピロリジン-2-イル)メチル]カルバモイル}-4-メトキシベンゼンスルホニル)カルバモイル]ナフタレン-2-イル}ジフルオロメチル)ホスホン酸
  • ({6-[(3-{[(1-ethylpyrrolidin-2-yl)methyl]carbamoyl}-4-methoxybenzenesulfonyl)carbamoyl]naphthalen-2-yl}difluoromethyl)phosphonic acid
Other name (1)：
  • N-[6-(Dihydroxyphosphinyldifluoromethyl)-2-naphthylcarbonyl]-3-(1-ethyl-2-pyrrolidinylmethylcarbamoyl)-4-methoxybenzenesulfonamide
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