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

Systemtic Name: 5-[[4-(4-methoxy-3-nitro-phenyl)sulfonylpiperazin-1-yl]methyl]-3-(2-methylpropyl)-1,2,4-oxadiazole Openeye Name: 3-isobutyl-5-[[4-(4-methoxy-3-nitro-phenyl)sulfonylpiperazin-1-yl]methyl]-1,2,4-oxadiazole CAS Name: 5-[[4-(4-methoxy-3-nitrophenyl)sulfonyl-1-piperazinyl]methyl]-3-(2-methylpropyl)-1,2,4-oxadiazole IUPAC Name: 5-[[4-(4-methoxy-3-nitrophenyl)sulfonylpiperazin-1-yl]methyl]-3-(2-methylpropyl)-1,2,4-oxadiazole Traditional Name: 3-isobutyl-5-[[4-(4-methoxy-3-nitro-phenyl)sulfonylpiperazino]methyl]-1,2,4-oxadiazole Formula: C18H25N5O6S MolecularWeight: 439.486

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H25N5O6S/c1-13(2)10-17-19-18(29-20-17)12-21-6-8-22(9-7-21)30(26,27)14-4-5-16(28-3)15(11-14)23(24)25/h4-5,11,13H,6-10,12H2,1-3H3