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

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

CC(C)(C)C1=NOC(=N1)COC2=C(C=C(C=C2)S(=O)(=O)N3CCCC3)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)C1=NOC(=N1)COC2=C(C=C(C=C2)S(=O)(=O)N3CCCC3)[N+](=O)[O-]

InChI

InChI=1S/C17H22N4O6S/c1-17(2,3)16-18-15(27-19-16)11-26-14-7-6-12(10-13(14)21(22)23)28(24,25)20-8-4-5-9-20/h6-7,10H,4-5,8-9,11H2,1-3H3