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

Systemtic Name: (3-fluoranyl-4-methoxy-phenyl)methyl 2-[[4-(furan-2-ylmethylamino)-3-nitro-phenyl]sulfonylamino]ethanoate Openeye Name: (3-fluoro-4-methoxy-phenyl)methyl 2-[[4-(2-furylmethylamino)-3-nitro-phenyl]sulfonylamino]acetate CAS Name: 2-[[4-(2-furanylmethylamino)-3-nitrophenyl]sulfonylamino]acetic acid (3-fluoro-4-methoxyphenyl)methyl ester IUPAC Name: (3-fluoro-4-methoxyphenyl)methyl 2-[[4-(furan-2-ylmethylamino)-3-nitrophenyl]sulfonylamino]acetate Traditional Name: 2-[[4-(2-furfurylamino)-3-nitro-phenyl]sulfonylamino]acetic acid (3-fluoro-4-methoxy-benzyl) ester Formula: C21H20FN3O8S MolecularWeight: 493.462203

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)COC(=O)CNS(=O)(=O)C2=CC(=C(C=C2)NCC3=CC=CO3)[N+](=O)[O-])F

Isomeric SMILES

COC1=C(C=C(C=C1)COC(=O)CNS(=O)(=O)C2=CC(=C(C=C2)NCC3=CC=CO3)[N+](=O)[O-])F

InChI

InChI=1S/C21H20FN3O8S/c1-31-20-7-4-14(9-17(20)22)13-33-21(26)12-24-34(29,30)16-5-6-18(19(10-16)25(27)28)23-11-15-3-2-8-32-15/h2-10,23-24H,11-13H2,1H3