Chem
J-GLOBAL ID:200907007374211263   Nikkaji number:J1.722.379H

1-Tosyl-2-(trichloromethyl)-4β-phenyl-5α-(4-methoxybenzoyl)-2-imidazoline

1-トシル-2-(トリクロロメチル)-4β-フェニル-5α-(4-メトキシベンゾイル)-2-イミダゾリン
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: C25H21Cl3N2O4S
Molecular formula furigana: C25-H21-CL3-N2-O4-S
Molecular weight: 551.860
InChI: InChI=1S/C25H21Cl3N2O4S/c1-16-8-14-20(15-9-16)35(32,33)30-22(23(31)18-10-12-19(34-2)13-11-18)21(17-6-4-3-5-7-17)29-24(30)25(26,27)28/h3-15,21-22H,1-2H3/t21-,22+/m0/s1
InChI key: RKMVIBUTLKZGAM-FCHUYYIVSA-N
SMILES: COc1ccc(cc1)C(=O)[C@H]1[C@@H](N=C(N1S(=O)(=O)c1ccc(C)cc1)C(Cl)(Cl)Cl)c1ccccc1
Systematic name  (3):
  • 1-トシル-2-(トリクロロメチル)-4β-フェニル-5α-(4-メトキシベンゾイル)-2-イミダゾリン
  • (4S,5R)-5-(4-メトキシベンゾイル)-1-(4-メチルベンゼンスルホニル)-4-フェニル-2-(トリクロロメチル)-4,5-ジヒドロ-1H-イミダゾール
  • (4S,5R)-5-(4-methoxybenzoyl)-1-(4-methylbenzenesulfonyl)-4-phenyl-2-(trichloromethyl)-4,5-dihydro-1H-imidazole
Other name (1):
  • 1-Tosyl-2-(trichloromethyl)-4β-phenyl-5α-(4-methoxybenzoyl)-2-imidazoline
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