N,N-diethyl-4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methoxy]-3-nitro-benzenesulfonamide

Systemtic Name: N,N-diethyl-4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methoxy]-3-nitro-benzenesulfonamide Openeye Name: N,N-diethyl-3-nitro-4-[[3-(p-tolyl)-1,2,4-oxadiazol-5-yl]methoxy]benzenesulfonamide CAS Name: N,N-diethyl-4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methoxy]-3-nitrobenzenesulfonamide IUPAC Name: N,N-diethyl-4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methoxy]-3-nitrobenzenesulfonamide Traditional Name: N,N-diethyl-3-nitro-4-[[3-(p-tolyl)-1,2,4-oxadiazol-5-yl]methoxy]benzenesulfonamide Formula: C20H22N4O6S MolecularWeight: 446.47688

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)OCC2=NC(=NO2)C3=CC=C(C=C3)C)[N+](=O)[O-]

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)OCC2=NC(=NO2)C3=CC=C(C=C3)C)[N+](=O)[O-]

InChI

InChI=1S/C20H22N4O6S/c1-4-23(5-2)31(27,28)16-10-11-18(17(12-16)24(25)26)29-13-19-21-20(22-30-19)15-8-6-14(3)7-9-15/h6-12H,4-5,13H2,1-3H3