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

Systemtic Name: 2-methyl-N-[4-nitro-3-(trifluoromethyl)phenyl]-2-oxidanyl-3-pentylsulfonyl-propanamide Openeye Name: 2-hydroxy-2-methyl-N-[4-nitro-3-(trifluoromethyl)phenyl]-3-pentylsulfonyl-propanamide CAS Name: 2-hydroxy-2-methyl-N-[4-nitro-3-(trifluoromethyl)phenyl]-3-pentylsulfonylpropanamide IUPAC Name: 2-hydroxy-2-methyl-N-[4-nitro-3-(trifluoromethyl)phenyl]-3-pentylsulfonylpropanamide Traditional Name: 3-amylsulfonyl-2-hydroxy-2-methyl-N-[4-nitro-3-(trifluoromethyl)phenyl]propionamide Formula: C16H21F3N2O6S MolecularWeight: 426.40795

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21F3N2O6S/c1-3-4-5-8-28(26,27)10-15(2,23)14(22)20-11-6-7-13(21(24)25)12(9-11)16(17,18)19/h6-7,9,23H,3-5,8,10H2,1-2H3,(H,20,22)