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

Systemtic Name: 3-ethylsulfonyl-2-methyl-N-[4-nitro-3-(trifluoromethyl)phenyl]-2-oxidanyl-propanamide Openeye Name: 3-ethylsulfonyl-2-hydroxy-2-methyl-N-[4-nitro-3-(trifluoromethyl)phenyl]propanamide CAS Name: 3-ethylsulfonyl-2-hydroxy-2-methyl-N-[4-nitro-3-(trifluoromethyl)phenyl]propanamide IUPAC Name: 3-ethylsulfonyl-2-hydroxy-2-methyl-N-[4-nitro-3-(trifluoromethyl)phenyl]propanamide Traditional Name: 3-esyl-2-hydroxy-2-methyl-N-[4-nitro-3-(trifluoromethyl)phenyl]propionamide Formula: C13H15F3N2O6S MolecularWeight: 384.32821

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15F3N2O6S/c1-3-25(23,24)7-12(2,20)11(19)17-8-4-5-10(18(21)22)9(6-8)13(14,15)16/h4-6,20H,3,7H2,1-2H3,(H,17,19)