N-(2-chloranyl-3-methylsulfanyl-4-methylsulfonyl-phenyl)-3,3,3-tris(fluoranyl)-2-methyl-2-oxidanyl-propanamide

Systemtic Name: N-(2-chloranyl-3-methylsulfanyl-4-methylsulfonyl-phenyl)-3,3,3-tris(fluoranyl)-2-methyl-2-oxidanyl-propanamide Openeye Name: N-(2-chloro-3-methylsulfanyl-4-methylsulfonyl-phenyl)-3,3,3-trifluoro-2-hydroxy-2-methyl-propanamide CAS Name: N-[2-chloro-4-methylsulfonyl-3-(methylthio)phenyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide IUPAC Name: N-(2-chloro-3-methylsulfanyl-4-methylsulfonylphenyl)-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide Traditional Name: N-[2-chloro-4-mesyl-3-(methylthio)phenyl]-3,3,3-trifluoro-2-hydroxy-2-methyl-propionamide Formula: C12H13ClF3NO4S2 MolecularWeight: 391.81413

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C(=C(C=C1)S(=O)(=O)C)SC)Cl)(C(F)(F)F)O

Isomeric SMILES

CC(C(=O)NC1=C(C(=C(C=C1)S(=O)(=O)C)SC)Cl)(C(F)(F)F)O

InChI

InChI=1S/C12H13ClF3NO4S2/c1-11(19,12(14,15)16)10(18)17-6-4-5-7(23(3,20)21)9(22-2)8(6)13/h4-5,19H,1-3H3,(H,17,18)