3-butyl-5-[(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenoxy)methyl]-1,2,4-oxadiazole

Systemtic Name: 3-butyl-5-[(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenoxy)methyl]-1,2,4-oxadiazole Openeye Name: 3-butyl-5-[(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenoxy)methyl]-1,2,4-oxadiazole CAS Name: 3-butyl-5-[[2-nitro-4-(1-pyrrolidinylsulfonyl)phenoxy]methyl]-1,2,4-oxadiazole IUPAC Name: 3-butyl-5-[(2-nitro-4-pyrrolidin-1-ylsulfonylphenoxy)methyl]-1,2,4-oxadiazole Traditional Name: 3-butyl-5-[(2-nitro-4-pyrrolidinosulfonyl-phenoxy)methyl]-1,2,4-oxadiazole Formula: C17H22N4O6S MolecularWeight: 410.44478

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NOC(=N1)COC2=C(C=C(C=C2)S(=O)(=O)N3CCCC3)[N+](=O)[O-]

Isomeric SMILES

CCCCC1=NOC(=N1)COC2=C(C=C(C=C2)S(=O)(=O)N3CCCC3)[N+](=O)[O-]

InChI

InChI=1S/C17H22N4O6S/c1-2-3-6-16-18-17(27-19-16)12-26-15-8-7-13(11-14(15)21(22)23)28(24,25)20-9-4-5-10-20/h7-8,11H,2-6,9-10,12H2,1H3