3-(4-methylphenyl)-5-[[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]methyl]-1,2,4-oxadiazole

Systemtic Name: 3-(4-methylphenyl)-5-[[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]methyl]-1,2,4-oxadiazole Openeye Name: 5-[[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]methyl]-3-(p-tolyl)-1,2,4-oxadiazole CAS Name: 3-(4-methylphenyl)-5-[[4-(3-nitrophenyl)sulfonyl-1-piperazinyl]methyl]-1,2,4-oxadiazole IUPAC Name: 3-(4-methylphenyl)-5-[[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]methyl]-1,2,4-oxadiazole Traditional Name: 5-[[4-(3-nitrophenyl)sulfonylpiperazino]methyl]-3-(p-tolyl)-1,2,4-oxadiazole Formula: C20H21N5O5S MolecularWeight: 443.47624

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NOC(=N2)CN3CCN(CC3)S(=O)(=O)C4=CC=CC(=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C2=NOC(=N2)CN3CCN(CC3)S(=O)(=O)C4=CC=CC(=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H21N5O5S/c1-15-5-7-16(8-6-15)20-21-19(30-22-20)14-23-9-11-24(12-10-23)31(28,29)18-4-2-3-17(13-18)25(26)27/h2-8,13H,9-12,14H2,1H3