3-[1-(3,4-dichlorophenyl)but-3-enyl]-3-methyl-5-(trifluoromethylsulfonyl)-2H-isoindol-1-one

Systemtic Name: 3-[1-(3,4-dichlorophenyl)but-3-enyl]-3-methyl-5-(trifluoromethylsulfonyl)-2H-isoindol-1-one Openeye Name: 3-[1-(3,4-dichlorophenyl)but-3-enyl]-3-methyl-5-(trifluoromethylsulfonyl)isoindolin-1-one CAS Name: 3-[1-(3,4-dichlorophenyl)but-3-enyl]-3-methyl-5-(trifluoromethylsulfonyl)-2H-isoindol-1-one IUPAC Name: 3-[1-(3,4-dichlorophenyl)but-3-enyl]-3-methyl-5-(trifluoromethylsulfonyl)-2H-isoindol-1-one Traditional Name: 3-[1-(3,4-dichlorophenyl)but-3-enyl]-3-methyl-5-triflyl-isoindolin-1-one Formula: C20H16Cl2F3NO3S MolecularWeight: 478.31215

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2=C(C=CC(=C2)S(=O)(=O)C(F)(F)F)C(=O)N1)C(CC=C)C3=CC(=C(C=C3)Cl)Cl

Isomeric SMILES

CC1(C2=C(C=CC(=C2)S(=O)(=O)C(F)(F)F)C(=O)N1)C(CC=C)C3=CC(=C(C=C3)Cl)Cl

InChI

InChI=1S/C20H16Cl2F3NO3S/c1-3-4-14(11-5-8-16(21)17(22)9-11)19(2)15-10-12(30(28,29)20(23,24)25)6-7-13(15)18(27)26-19/h3,5-10,14H,1,4H2,2H3,(H,26,27)