Chem
J-GLOBAL ID:200907074698081655
Nikkaji number:J847.166E
(3S)-2-Tosyl-5-(4-chlorophenyl)-6-oxo-2,3,4,6,7,7aβ-hexahydro-1H-2-pyrindine-3α-carboxylic acid methyl ester
(3S)-2-トシル-5-(4-クロロフェニル)-6-オキソ-2,3,4,6,7,7aβ-ヘキサヒドロ-1H-2-ピリンジン-3α-カルボン酸メチル
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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:
C23 H22 ClNO5 S
Molecular formula furigana:
C23-H22-CL-N-O5-S
Molecular weight:
459.940
InChI:
InChI=1S/C23H22ClNO5S/c1-14-3-9-18(10-4-14)31(28,29)25-13-16-11-21(26)22(15-5-7-17(24)8-6-15)19(16)12-20(25)23(27)30-2/h3-10,16,20H,11-13H2,1-2H3/t16-,20+/m1/s1
InChI key:
YFKMGGBZOHGSKR-UZLBHIALSA-N
SMILES:
COC(=O)[C@@H]1CC2=C(C(=O)C[C@@H]2CN1S(=O)(=O)c1ccc(C)cc1)c1ccc(Cl)cc1
Systematic name (3):
(3S)-2-トシル-5-(4-クロロフェニル)-6-オキソ-2,3,4,6,7,7aβ-ヘキサヒドロ-1H-2-ピリンジン-3α-カルボン酸メチル
メチル (3S,7aS)-5-(4-クロロフェニル)-2-(4-メチルベンゼンスルホニル)-6-オキソ-1H,2H,3H,4H,6H,7H,7aH-シクロペンタ[c]ピリジン-3-カルボキシラート
methyl (3S,7aS)-5-(4-chlorophenyl)-2-(4-methylbenzenesulfonyl)-6-oxo-1H,2H,3H,4H,6H,7H,7aH-cyclopenta[c]pyridine-3-carboxylate
Other name (1):
(3S)-2-Tosyl-5-(4-chlorophenyl)-6-oxo-2,3,4,6,7,7aβ-hexahydro-1H-2-pyrindine-3α-carboxylic acid methyl ester
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