Chem
J-GLOBAL ID：200907005623111549   Nikkaji number：J705.183B

2-[4-(Phenylsulfonyloxy)phenyl]-3-[4-(4-methoxy-trans-cinnamoyl)-1,3-cyclohexadien-1-yl]quinazolin-4(3H)-one

2-[4-(フェニルスルホニルオキシ)フェニル]-3-[4-(4-メトキシ-trans-シンナモイル)-1,3-シクロヘキサジエン-1-イル]キナゾリン-4(3H)-オン
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： C36H28N2O6S
Molecular formula furigana： C36-H28-N2-O6-S
Molecular weight： 616.690
InChI： InChI=1S/C36H28N2O6S/c1-43-29-20-11-25(12-21-29)13-24-34(39)26-14-18-28(19-15-26)38-35(37-33-10-6-5-9-32(33)36(38)40)27-16-22-30(23-17-27)44-45(41,42)31-7-3-2-4-8-31/h2-14,16-18,20-24H,15,19H2,1H3/b24-13+
InChI key： LSGJPHYBXBKLNG-ZMOGYAJESA-N
SMILES： COc1ccc(/C=C/C(=O)C2=CC=C(CC2)n2c(nc3ccccc3c2=O)c2ccc(OS(=O)(=O)c3ccccc3)cc2)cc1
Systematic name  (3)：
  • 2-[4-(フェニルスルホニルオキシ)フェニル]-3-[4-(4-メトキシ-trans-シンナモイル)-1,3-シクロヘキサジエン-1-イル]キナゾリン-4(3H)-オン
  • 4-(3-{4-[(2E)-3-(4-メトキシフェニル)プロパ-2-エノイル]シクロヘキサ-1,3-ジエン-1-イル}-4-オキソ-3,4-ジヒドロキナゾリン-2-イル)フェニル ベンゼンスルホナート
  • 4-(3-{4-[(2E)-3-(4-methoxyphenyl)prop-2-enoyl]cyclohexa-1,3-dien-1-yl}-4-oxo-3,4-dihydroquinazolin-2-yl)phenyl benzenesulfonate
Other name (1)：
  • 2-[4-(Phenylsulfonyloxy)phenyl]-3-[4-(4-methoxy-trans-cinnamoyl)-1,3-cyclohexadien-1-yl]quinazolin-4(3H)-one
Thsaurus map：
Thesaurus Map

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