tert-butyl 4-[(3,4-dichlorophenyl)methyl-[3-(trifluoromethylsulfonyl)phenyl]amino]-2,4-bis(oxidanylidene)butanoate

Systemtic Name: tert-butyl 4-[(3,4-dichlorophenyl)methyl-[3-(trifluoromethylsulfonyl)phenyl]amino]-2,4-bis(oxidanylidene)butanoate Openeye Name: tert-butyl 4-[N-[(3,4-dichlorophenyl)methyl]-3-(trifluoromethylsulfonyl)anilino]-2,4-dioxo-butanoate CAS Name: 4-[N-[(3,4-dichlorophenyl)methyl]-3-(trifluoromethylsulfonyl)anilino]-2,4-dioxobutanoic acid tert-butyl ester IUPAC Name: tert-butyl 4-[N-[(3,4-dichlorophenyl)methyl]-3-(trifluoromethylsulfonyl)anilino]-2,4-dioxobutanoate Traditional Name: 4-(N-(3,4-dichlorobenzyl)-3-triflyl-anilino)-2,4-diketo-butyric acid tert-butyl ester Formula: C22H20Cl2F3NO6S MolecularWeight: 554.36351

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C(=O)CC(=O)N(CC1=CC(=C(C=C1)Cl)Cl)C2=CC(=CC=C2)S(=O)(=O)C(F)(F)F

Isomeric SMILES

CC(C)(C)OC(=O)C(=O)CC(=O)N(CC1=CC(=C(C=C1)Cl)Cl)C2=CC(=CC=C2)S(=O)(=O)C(F)(F)F

InChI

InChI=1S/C22H20Cl2F3NO6S/c1-21(2,3)34-20(31)18(29)11-19(30)28(12-13-7-8-16(23)17(24)9-13)14-5-4-6-15(10-14)35(32,33)22(25,26)27/h4-10H,11-12H2,1-3H3