N-[4-nitro-3-(trifluoromethyl)phenyl]-2-(2-oxidanylpropylsulfonyl)propanamide

Systemtic Name: N-[4-nitro-3-(trifluoromethyl)phenyl]-2-(2-oxidanylpropylsulfonyl)propanamide Openeye Name: 2-(2-hydroxypropylsulfonyl)-N-[4-nitro-3-(trifluoromethyl)phenyl]propanamide CAS Name: 2-(2-hydroxypropylsulfonyl)-N-[4-nitro-3-(trifluoromethyl)phenyl]propanamide IUPAC Name: 2-(2-hydroxypropylsulfonyl)-N-[4-nitro-3-(trifluoromethyl)phenyl]propanamide Traditional Name: 2-(2-hydroxypropylsulfonyl)-N-[4-nitro-3-(trifluoromethyl)phenyl]propionamide Formula: C13H15F3N2O6S MolecularWeight: 384.32821

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15F3N2O6S/c1-7(19)6-25(23,24)8(2)12(20)17-9-3-4-11(18(21)22)10(5-9)13(14,15)16/h3-5,7-8,19H,6H2,1-2H3,(H,17,20)