N,N-diethyl-3-nitro-4-[[2-(trifluoromethyl)phenyl]methylsulfanyl]benzenesulfonamide

Systemtic Name: N,N-diethyl-3-nitro-4-[[2-(trifluoromethyl)phenyl]methylsulfanyl]benzenesulfonamide Openeye Name: N,N-diethyl-3-nitro-4-[[2-(trifluoromethyl)phenyl]methylsulfanyl]benzenesulfonamide CAS Name: N,N-diethyl-3-nitro-4-[[2-(trifluoromethyl)phenyl]methylthio]benzenesulfonamide IUPAC Name: N,N-diethyl-3-nitro-4-[[2-(trifluoromethyl)phenyl]methylsulfanyl]benzenesulfonamide Traditional Name: N,N-diethyl-3-nitro-4-[[2-(trifluoromethyl)benzyl]thio]benzenesulfonamide Formula: C18H19F3N2O4S2 MolecularWeight: 448.47967

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)SCC2=CC=CC=C2C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)SCC2=CC=CC=C2C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C18H19F3N2O4S2/c1-3-22(4-2)29(26,27)14-9-10-17(16(11-14)23(24)25)28-12-13-7-5-6-8-15(13)18(19,20)21/h5-11H,3-4,12H2,1-2H3