4-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-3-nitro-phenyl]sulfonylmorpholine

Systemtic Name: 4-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-3-nitro-phenyl]sulfonylmorpholine Openeye Name: 4-[4-[(3,5-dimethylisoxazol-4-yl)methylsulfanyl]-3-nitro-phenyl]sulfonylmorpholine CAS Name: 4-[4-[(3,5-dimethyl-4-isoxazolyl)methylthio]-3-nitrophenyl]sulfonylmorpholine IUPAC Name: 4-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-3-nitrophenyl]sulfonylmorpholine Traditional Name: 4-[4-[(3,5-dimethylisoxazol-4-yl)methylthio]-3-nitro-phenyl]sulfonylmorpholine Formula: C16H19N3O6S2 MolecularWeight: 413.46856

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)CSC2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NO1)C)CSC2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)[N+](=O)[O-]

InChI

InChI=1S/C16H19N3O6S2/c1-11-14(12(2)25-17-11)10-26-16-4-3-13(9-15(16)19(20)21)27(22,23)18-5-7-24-8-6-18/h3-4,9H,5-8,10H2,1-2H3