Chem
J-GLOBAL ID:200907031820280248
Nikkaji number:J679.996E
2-[(1R,5S)-4-Methyl-6-(4-chlorophenyl)-1-azabicyclo[3.3.1]nona-3,6-dien-3-yl]-4,5-diethoxybenzenesulfonic acid
2-[(1R,5S)-4-メチル-6-(4-クロロフェニル)-1-アザビシクロ[3.3.1]ノナ-3,6-ジエン-3-イル]-4,5-ジエトキシベンゼンスルホン酸
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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:
C25 H28 ClNO5 S
Molecular formula furigana:
C25-H28-CL-N-O5-S
Molecular weight:
490.010
InChI:
InChI=1S/C25H28ClNO5S/c1-4-31-23-12-20(25(33(28,29)30)13-24(23)32-5-2)22-15-27-11-10-19(21(14-27)16(22)3)17-6-8-18(26)9-7-17/h6-10,12-13,21H,4-5,11,14-15H2,1-3H3,(H,28,29,30)/t21-/m0/s1
InChI key:
PFUKMTMOEJDAQH-NRFANRHFSA-N
SMILES:
CCOc1cc(C2=C(C)[C@@H]3CN(CC=C3c3ccc(Cl)cc3)C2)c(cc1OCC)S(=O)(=O)O
Systematic name (3):
2-[(1R,5S)-4-メチル-6-(4-クロロフェニル)-1-アザビシクロ[3.3.1]ノナ-3,6-ジエン-3-イル]-4,5-ジエトキシベンゼンスルホン酸
2-[(5S)-6-(4-クロロフェニル)-4-メチル-1-アザビシクロ[3.3.1]ノナ-3,6-ジエン-3-イル]-4,5-ジエトキシベンゼン-1-スルホン酸
2-[(5S)-6-(4-chlorophenyl)-4-methyl-1-azabicyclo[3.3.1]nona-3,6-dien-3-yl]-4,5-diethoxybenzene-1-sulfonic acid
Other name (1):
2-[(1R,5S)-4-Methyl-6-(4-chlorophenyl)-1-azabicyclo[3.3.1]nona-3,6-dien-3-yl]-4,5-diethoxybenzenesulfonic acid
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