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

Systemtic Name: 5-[[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]methyl]-3-propan-2-yl-1,2,4-oxadiazole Openeye Name: 3-isopropyl-5-[[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]methyl]-1,2,4-oxadiazole CAS Name: 5-[[4-(2-nitrophenyl)sulfonyl-1-piperazinyl]methyl]-3-propan-2-yl-1,2,4-oxadiazole IUPAC Name: 5-[[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]methyl]-3-propan-2-yl-1,2,4-oxadiazole Traditional Name: 3-isopropyl-5-[[4-(2-nitrophenyl)sulfonylpiperazino]methyl]-1,2,4-oxadiazole Formula: C16H21N5O5S MolecularWeight: 395.43344

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21N5O5S/c1-12(2)16-17-15(26-18-16)11-19-7-9-20(10-8-19)27(24,25)14-6-4-3-5-13(14)21(22)23/h3-6,12H,7-11H2,1-2H3