4-[4-[(3-butyl-1,2,4-oxadiazol-5-yl)methoxy]-3-nitro-phenyl]sulfonylmorpholine

Systemtic Name: 4-[4-[(3-butyl-1,2,4-oxadiazol-5-yl)methoxy]-3-nitro-phenyl]sulfonylmorpholine Openeye Name: 4-[4-[(3-butyl-1,2,4-oxadiazol-5-yl)methoxy]-3-nitro-phenyl]sulfonylmorpholine CAS Name: 4-[4-[(3-butyl-1,2,4-oxadiazol-5-yl)methoxy]-3-nitrophenyl]sulfonylmorpholine IUPAC Name: 4-[4-[(3-butyl-1,2,4-oxadiazol-5-yl)methoxy]-3-nitrophenyl]sulfonylmorpholine Traditional Name: 4-[4-[(3-butyl-1,2,4-oxadiazol-5-yl)methoxy]-3-nitro-phenyl]sulfonylmorpholine Formula: C17H22N4O7S MolecularWeight: 426.44418

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NOC(=N1)COC2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)[N+](=O)[O-]

Isomeric SMILES

CCCCC1=NOC(=N1)COC2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)[N+](=O)[O-]

InChI

InChI=1S/C17H22N4O7S/c1-2-3-4-16-18-17(28-19-16)12-27-15-6-5-13(11-14(15)21(22)23)29(24,25)20-7-9-26-10-8-20/h5-6,11H,2-4,7-10,12H2,1H3