N-[4-cyano-3-(trifluoromethyl)phenyl]-2-methyl-2-oxidanyl-3-(phenylsulfonyl)propanamide

Systemtic Name: N-[4-cyano-3-(trifluoromethyl)phenyl]-2-methyl-2-oxidanyl-3-(phenylsulfonyl)propanamide Openeye Name: 3-(benzenesulfonyl)-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxy-2-methyl-propanamide CAS Name: 3-(benzenesulfonyl)-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxy-2-methylpropanamide IUPAC Name: 3-(benzenesulfonyl)-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxy-2-methylpropanamide Traditional Name: 3-besyl-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxy-2-methyl-propionamide Formula: C18H15F3N2O4S MolecularWeight: 412.38291

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Descriptors Computed from Structure

Canonical SMILES:

CC(CS(=O)(=O)C1=CC=CC=C1)(C(=O)NC2=CC(=C(C=C2)C#N)C(F)(F)F)O

Isomeric SMILES

CC(CS(=O)(=O)C1=CC=CC=C1)(C(=O)NC2=CC(=C(C=C2)C#N)C(F)(F)F)O

InChI

InChI=1S/C18H15F3N2O4S/c1-17(25,11-28(26,27)14-5-3-2-4-6-14)16(24)23-13-8-7-12(10-22)15(9-13)18(19,20)21/h2-9,25H,11H2,1H3,(H,23,24)