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

Systemtic Name: 3-tert-butyl-5-[[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazin-1-yl]methyl]-1,2,4-oxadiazole Openeye Name: 3-tert-butyl-5-[[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazin-1-yl]methyl]-1,2,4-oxadiazole CAS Name: 3-tert-butyl-5-[[4-(2-methyl-5-nitrophenyl)sulfonyl-1-piperazinyl]methyl]-1,2,4-oxadiazole IUPAC Name: 3-tert-butyl-5-[[4-(2-methyl-5-nitrophenyl)sulfonylpiperazin-1-yl]methyl]-1,2,4-oxadiazole Traditional Name: 3-tert-butyl-5-[[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazino]methyl]-1,2,4-oxadiazole Formula: C18H25N5O5S MolecularWeight: 423.4866

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCN(CC2)CC3=NC(=NO3)C(C)(C)C

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCN(CC2)CC3=NC(=NO3)C(C)(C)C

InChI

InChI=1S/C18H25N5O5S/c1-13-5-6-14(23(24)25)11-15(13)29(26,27)22-9-7-21(8-10-22)12-16-19-17(20-28-16)18(2,3)4/h5-6,11H,7-10,12H2,1-4H3