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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NOC(=N1)CN2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

CCCC1=NOC(=N1)CN2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-]

InChI

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