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

Systemtic Name: N-ethyl-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-4-nitro-benzenesulfonamide Openeye Name: N-ethyl-4-nitro-N-[[3-(p-tolyl)-1,2,4-oxadiazol-5-yl]methyl]benzenesulfonamide CAS Name: N-ethyl-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-4-nitrobenzenesulfonamide IUPAC Name: N-ethyl-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-4-nitrobenzenesulfonamide Traditional Name: N-ethyl-4-nitro-N-[[3-(p-tolyl)-1,2,4-oxadiazol-5-yl]methyl]benzenesulfonamide Formula: C18H18N4O5S MolecularWeight: 402.42432

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=NC(=NO1)C2=CC=C(C=C2)C)S(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCN(CC1=NC(=NO1)C2=CC=C(C=C2)C)S(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H18N4O5S/c1-3-21(28(25,26)16-10-8-15(9-11-16)22(23)24)12-17-19-18(20-27-17)14-6-4-13(2)5-7-14/h4-11H,3,12H2,1-2H3