Chem
J-GLOBAL ID：200907044210973050
Nikkaji number：J1.969.271J
1-(4-Methoxyphenylsulfonyl)-2-[(4S)-2,2-dimethyl-1,3-dioxolane-4β-yl]-1,2-dihydroquinoline-3-carboxylic acid methyl ester
1-(4-メトキシフェニルスルホニル)-2-[(4S)-2,2-ジメチル-1,3-ジオキソラン-4β-イル]-1,2-ジヒドロキノリン-3-カルボン酸メチル
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
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
Molecular formula： C23H25NO7S
Molecular formula furigana： C23-H25-N-O7-S
Molecular weight： 459.510
InChI：
InChI=1S/C23H25NO7S/c1-23(2)30-14-20(31-23)21-18(22(25)29-4)13-15-7-5-6-8-19(15)24(21)32(26,27)17-11-9-16(28-3)10-12-17/h5-13,20-21H,14H2,1-4H3/t20-,21?/m1/s1
InChI key：
WEBNCSIGJXCSTI-VQCQRNETSA-N
SMILES：
COC(=O)C1=Cc2ccccc2N(C1[C@H]1COC(C)(C)O1)S(=O)(=O)c1ccc(OC)cc1
Systematic name (3)：
- 1-(4-メトキシフェニルスルホニル)-2-[(4S)-2,2-ジメチル-1,3-ジオキソラン-4β-イル]-1,2-ジヒドロキノリン-3-カルボン酸メチル
- メチル 2-[(4S)-2,2-ジメチル-1,3-ジオキソラン-4-イル]-1-(4-メトキシベンゼンスルホニル)-1,2-ジヒドロキノリン-3-カルボキシラート
- methyl 2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-1-(4-methoxybenzenesulfonyl)-1,2-dihydroquinoline-3-carboxylate
- 1-(4-Methoxyphenylsulfonyl)-2-[(4S)-2,2-dimethyl-1,3-dioxolane-4β-yl]-1,2-dihydroquinoline-3-carboxylic acid methyl ester
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