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

Systemtic Name: 3-(2-methylpropyl)-5-[[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]methyl]-1,2,4-oxadiazole Openeye Name: 3-isobutyl-5-[[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]methyl]-1,2,4-oxadiazole CAS Name: 3-(2-methylpropyl)-5-[[4-(3-nitrophenyl)sulfonyl-1-piperazinyl]methyl]-1,2,4-oxadiazole IUPAC Name: 3-(2-methylpropyl)-5-[[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]methyl]-1,2,4-oxadiazole Traditional Name: 3-isobutyl-5-[[4-(3-nitrophenyl)sulfonylpiperazino]methyl]-1,2,4-oxadiazole Formula: C17H23N5O5S MolecularWeight: 409.46002

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=NOC(=N1)CN2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C)CC1=NOC(=N1)CN2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H23N5O5S/c1-13(2)10-16-18-17(27-19-16)12-20-6-8-21(9-7-20)28(25,26)15-5-3-4-14(11-15)22(23)24/h3-5,11,13H,6-10,12H2,1-2H3