N,N-diethyl-3-nitro-4-[[3-(trifluoromethyl)phenyl]methoxy]benzenesulfonamide

Systemtic Name: N,N-diethyl-3-nitro-4-[[3-(trifluoromethyl)phenyl]methoxy]benzenesulfonamide Openeye Name: N,N-diethyl-3-nitro-4-[[3-(trifluoromethyl)phenyl]methoxy]benzenesulfonamide CAS Name: N,N-diethyl-3-nitro-4-[[3-(trifluoromethyl)phenyl]methoxy]benzenesulfonamide IUPAC Name: N,N-diethyl-3-nitro-4-[[3-(trifluoromethyl)phenyl]methoxy]benzenesulfonamide Traditional Name: N,N-diethyl-3-nitro-4-[3-(trifluoromethyl)benzyl]oxy-benzenesulfonamide Formula: C18H19F3N2O5S MolecularWeight: 432.41407

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)OCC2=CC(=CC=C2)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)OCC2=CC(=CC=C2)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C18H19F3N2O5S/c1-3-22(4-2)29(26,27)15-8-9-17(16(11-15)23(24)25)28-12-13-6-5-7-14(10-13)18(19,20)21/h5-11H,3-4,12H2,1-2H3