(5-cyano-2-fluoranyl-phenyl)methyl 2-[[4-(furan-2-ylmethylamino)-3-nitro-phenyl]sulfonylamino]ethanoate

Systemtic Name: (5-cyano-2-fluoranyl-phenyl)methyl 2-[[4-(furan-2-ylmethylamino)-3-nitro-phenyl]sulfonylamino]ethanoate Openeye Name: (5-cyano-2-fluoro-phenyl)methyl 2-[[4-(2-furylmethylamino)-3-nitro-phenyl]sulfonylamino]acetate CAS Name: 2-[[4-(2-furanylmethylamino)-3-nitrophenyl]sulfonylamino]acetic acid (5-cyano-2-fluorophenyl)methyl ester IUPAC Name: (5-cyano-2-fluorophenyl)methyl 2-[[4-(furan-2-ylmethylamino)-3-nitrophenyl]sulfonylamino]acetate Traditional Name: 2-[[4-(2-furfurylamino)-3-nitro-phenyl]sulfonylamino]acetic acid (5-cyano-2-fluoro-benzyl) ester Formula: C21H17FN4O7S MolecularWeight: 488.445683

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Descriptors Computed from Structure

Canonical SMILES:

C1=COC(=C1)CNC2=C(C=C(C=C2)S(=O)(=O)NCC(=O)OCC3=C(C=CC(=C3)C#N)F)[N+](=O)[O-]

Isomeric SMILES

C1=COC(=C1)CNC2=C(C=C(C=C2)S(=O)(=O)NCC(=O)OCC3=C(C=CC(=C3)C#N)F)[N+](=O)[O-]

InChI

InChI=1S/C21H17FN4O7S/c22-18-5-3-14(10-23)8-15(18)13-33-21(27)12-25-34(30,31)17-4-6-19(20(9-17)26(28)29)24-11-16-2-1-7-32-16/h1-9,24-25H,11-13H2