3-methyl-5-[[4-(4-nitro-2-pyrrolidin-1-ylsulfonyl-phenyl)piperazin-1-yl]methyl]-1,2,4-oxadiazole

Systemtic Name: 3-methyl-5-[[4-(4-nitro-2-pyrrolidin-1-ylsulfonyl-phenyl)piperazin-1-yl]methyl]-1,2,4-oxadiazole Openeye Name: 3-methyl-5-[[4-(4-nitro-2-pyrrolidin-1-ylsulfonyl-phenyl)piperazin-1-yl]methyl]-1,2,4-oxadiazole CAS Name: 3-methyl-5-[[4-[4-nitro-2-(1-pyrrolidinylsulfonyl)phenyl]-1-piperazinyl]methyl]-1,2,4-oxadiazole IUPAC Name: 3-methyl-5-[[4-(4-nitro-2-pyrrolidin-1-ylsulfonylphenyl)piperazin-1-yl]methyl]-1,2,4-oxadiazole Traditional Name: 3-methyl-5-[[4-(4-nitro-2-pyrrolidinosulfonyl-phenyl)piperazino]methyl]-1,2,4-oxadiazole Formula: C18H24N6O5S MolecularWeight: 436.48536

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NOC(=N1)CN2CCN(CC2)C3=C(C=C(C=C3)[N+](=O)[O-])S(=O)(=O)N4CCCC4

Isomeric SMILES

CC1=NOC(=N1)CN2CCN(CC2)C3=C(C=C(C=C3)[N+](=O)[O-])S(=O)(=O)N4CCCC4

InChI

InChI=1S/C18H24N6O5S/c1-14-19-18(29-20-14)13-21-8-10-22(11-9-21)16-5-4-15(24(25)26)12-17(16)30(27,28)23-6-2-3-7-23/h4-5,12H,2-3,6-11,13H2,1H3