5-tert-butyl-N-[2-chloranyl-4-(trifluoromethylsulfonyl)phenyl]-3-cyano-2-methyl-6-oxidanyl-benzamide

Systemtic Name: 5-tert-butyl-N-[2-chloranyl-4-(trifluoromethylsulfonyl)phenyl]-3-cyano-2-methyl-6-oxidanyl-benzamide Openeye Name: 3-tert-butyl-N-[2-chloro-4-(trifluoromethylsulfonyl)phenyl]-5-cyano-2-hydroxy-6-methyl-benzamide CAS Name: 3-tert-butyl-N-[2-chloro-4-(trifluoromethylsulfonyl)phenyl]-5-cyano-2-hydroxy-6-methylbenzamide IUPAC Name: 3-tert-butyl-N-[2-chloro-4-(trifluoromethylsulfonyl)phenyl]-5-cyano-2-hydroxy-6-methylbenzamide Traditional Name: 3-tert-butyl-N-(2-chloro-4-triflyl-phenyl)-5-cyano-2-hydroxy-6-methyl-benzamide Formula: C20H18ClF3N2O4S MolecularWeight: 474.88113

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1C#N)C(C)(C)C)O)C(=O)NC2=C(C=C(C=C2)S(=O)(=O)C(F)(F)F)Cl

Isomeric SMILES

CC1=C(C(=C(C=C1C#N)C(C)(C)C)O)C(=O)NC2=C(C=C(C=C2)S(=O)(=O)C(F)(F)F)Cl

InChI

InChI=1S/C20H18ClF3N2O4S/c1-10-11(9-25)7-13(19(2,3)4)17(27)16(10)18(28)26-15-6-5-12(8-14(15)21)31(29,30)20(22,23)24/h5-8,27H,1-4H3,(H,26,28)