2-methyl-N-[4-nitro-3-(trifluoromethyl)phenyl]-2-oxidanyl-3-propylsulfonyl-propanamide

Systemtic Name: 2-methyl-N-[4-nitro-3-(trifluoromethyl)phenyl]-2-oxidanyl-3-propylsulfonyl-propanamide Openeye Name: 2-hydroxy-2-methyl-N-[4-nitro-3-(trifluoromethyl)phenyl]-3-propylsulfonyl-propanamide CAS Name: 2-hydroxy-2-methyl-N-[4-nitro-3-(trifluoromethyl)phenyl]-3-propylsulfonylpropanamide IUPAC Name: 2-hydroxy-2-methyl-N-[4-nitro-3-(trifluoromethyl)phenyl]-3-propylsulfonylpropanamide Traditional Name: 2-hydroxy-2-methyl-N-[4-nitro-3-(trifluoromethyl)phenyl]-3-propylsulfonyl-propionamide Formula: C14H17F3N2O6S MolecularWeight: 398.35479

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Descriptors Computed from Structure

Canonical SMILES:

CCCS(=O)(=O)CC(C)(C(=O)NC1=CC(=C(C=C1)[N+](=O)[O-])C(F)(F)F)O

Isomeric SMILES

CCCS(=O)(=O)CC(C)(C(=O)NC1=CC(=C(C=C1)[N+](=O)[O-])C(F)(F)F)O

InChI

InChI=1S/C14H17F3N2O6S/c1-3-6-26(24,25)8-13(2,21)12(20)18-9-4-5-11(19(22)23)10(7-9)14(15,16)17/h4-5,7,21H,3,6,8H2,1-2H3,(H,18,20)