Chem
J-GLOBAL ID:200907036043464625   Nikkaji number:J320.265H

3-[[(4,5-Dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol)-4-yl]azo]-N-[4-[[1-[2-[4-(hexadecyloxy)phenyl]-4-methyl-3,6-dioxo-1,4-cyclohexadien-1-yl]-ethyl]sulfonyl]phenyl]-4-methoxybenzenesulfonamide

3-[[(4,5-ジヒドロ-3-メチル-5-オキソ-1-フェニル-1H-ピラゾール)-4-イル]アゾ]-N-[4-[[1-[2-[4-(ヘキサデシルオキシ)フェニル]-4-メチル-3,6-ジオキソ-1,4-シクロヘキサジエン-1-イル]-エチル]スルホニル]フェニル]-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: C54H65N5O9S2
Molecular formula furigana: C54-H65-N5-O9-S2
Molecular weight: 992.260
InChI: InChI=1S/C54H65N5O9S2/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-22-35-68-44-29-25-41(26-30-44)51-50(48(60)36-38(2)53(51)61)40(4)69(63,64)45-31-27-42(28-32-45)58-70(65,66)46-33-34-49(67-5)47(37-46)55-56-52-39(3)57-59(54(52)62)43-23-20-19-21-24-43/h19-21,23-34,36-37,40,52,58H,6-18,22,35H2,1-5H3
InChI key: ODKNTYSGNFUPOI-UHFFFAOYSA-N
SMILES: CCCCCCCCCCCCCCCCOc1ccc(cc1)C1=C(C(C)S(=O)(=O)c2ccc(NS(=O)(=O)c3ccc(OC)c(c3)N=NC3C(=NN(C3=O)c3ccccc3)C)cc2)C(=O)C=C(C)C1=O
Systematic name  (3):
  • 3-[[(4,5-ジヒドロ-3-メチル-5-オキソ-1-フェニル-1H-ピラゾール)-4-イル]アゾ]-N-[4-[[1-[2-[4-(ヘキサデシルオキシ)フェニル]-4-メチル-3,6-ジオキソ-1,4-シクロヘキサジエン-1-イル]-エチル]スルホニル]フェニル]-4-メトキシベンゼンスルホンアミド
  • N-[4-(1-{2-[4-(ヘキサデシルオキシ)フェニル]-4-メチル-3,6-ジオキソシクロヘキサ-1,4-ジエン-1-イル}エタンスルホニル)フェニル]-4-メトキシ-3-[2-(3-メチル-5-オキソ-1-フェニル-4,5-ジヒドロ-1H-ピラゾール-4-イル)ジアゼン-1-イル]ベンゼン-1-スルホンアミド
  • N-[4-(1-{2-[4-(hexadecyloxy)phenyl]-4-methyl-3,6-dioxocyclohexa-1,4-dien-1-yl}ethanesulfonyl)phenyl]-4-methoxy-3-[2-(3-methyl-5-oxo-1-phenyl-4,5-dihydro-1H-pyrazol-4-yl)diazen-1-yl]benzene-1-sulfonamide
Other name (1):
  • 3-[[(4,5-Dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol)-4-yl]azo]-N-[4-[[1-[2-[4-(hexadecyloxy)phenyl]-4-methyl-3,6-dioxo-1,4-cyclohexadien-1-yl]-ethyl]sulfonyl]phenyl]-4-methoxybenzenesulfonamide
CAS registry number: 80396-84-5
Regulation number (1):
  • EINECS2794549
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