Chem
J-GLOBAL ID:200907020593363180
Nikkaji number:J2.007.285G
4-(2-Methyl-3-methoxybenzoylamino)-4-(3,5-dimethylbenzoyl)tetrahydro-2H-thiopyran 1,1-dioxide
4-(3,5-ジメチルベンゾイル)-4-(3-メトキシ-2-メチルベンズアミド)チアン-1,1-ジイウム-1,1-ビス(オラート)
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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 H27 NO3 [O-]2 [S+2]
Molecular formula furigana:
C23-H27-N-O5-S
Molecular weight:
429.530
InChI:
InChI=1S/C23H27NO5S/c1-15-12-16(2)14-18(13-15)21(25)23(8-10-30(27,28)11-9-23)24-22(26)19-6-5-7-20(29-4)17(19)3/h5-7,12-14H,8-11H2,1-4H3,(H,24,26)
InChI key:
VVRQROUJOMLDKY-UHFFFAOYSA-N
SMILES:
COc1cccc(C(=O)NC2(CC[S+2]([O-])([O-])CC2)C(=O)c2cc(C)cc(C)c2)c1C
Systematic name (3):
4-(2-メチル-3-メトキシベンゾイルアミノ)-4-(3,5-ジメチルベンゾイル)テトラヒドロ-2H-チオピラン1,1-ジオキシド
4-(3,5-ジメチルベンゾイル)-4-(3-メトキシ-2-メチルベンズアミド)チアン-1,1-ジイウム-1,1-ビス(オラート)
4-(3,5-dimethylbenzoyl)-4-(3-methoxy-2-methylbenzamido)thiane-1,1-diium-1,1-bis(olate)
Other name (1):
4-(2-Methyl-3-methoxybenzoylamino)-4-(3,5-dimethylbenzoyl)tetrahydro-2H-thiopyran 1,1-dioxide
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