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

Systemtic Name: 3-tert-butyl-5-[[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]methyl]-1,2,4-oxadiazole Openeye Name: 3-tert-butyl-5-[[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]methyl]-1,2,4-oxadiazole CAS Name: 3-tert-butyl-5-[[4-(3-nitrophenyl)sulfonyl-1-piperazinyl]methyl]-1,2,4-oxadiazole IUPAC Name: 3-tert-butyl-5-[[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]methyl]-1,2,4-oxadiazole Traditional Name: 3-tert-butyl-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)(C)C1=NOC(=N1)CN2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)C1=NOC(=N1)CN2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H23N5O5S/c1-17(2,3)16-18-15(27-19-16)12-20-7-9-21(10-8-20)28(25,26)14-6-4-5-13(11-14)22(23)24/h4-6,11H,7-10,12H2,1-3H3