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

Systemtic Name: N-methyl-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-nitro-benzenesulfonamide Openeye Name: N-methyl-3-nitro-N-[[3-(p-tolyl)-1,2,4-oxadiazol-5-yl]methyl]benzenesulfonamide CAS Name: N-methyl-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-nitrobenzenesulfonamide IUPAC Name: N-methyl-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-nitrobenzenesulfonamide Traditional Name: N-methyl-3-nitro-N-[[3-(p-tolyl)-1,2,4-oxadiazol-5-yl]methyl]benzenesulfonamide Formula: C17H16N4O5S MolecularWeight: 388.39774

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NOC(=N2)CN(C)S(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C2=NOC(=N2)CN(C)S(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H16N4O5S/c1-12-6-8-13(9-7-12)17-18-16(26-19-17)11-20(2)27(24,25)15-5-3-4-14(10-15)21(22)23/h3-10H,11H2,1-2H3