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

Systemtic Name: (2-fluorophenyl)methyl 2-[[4-(furan-2-ylmethylamino)-3-nitro-phenyl]sulfonylamino]ethanoate Openeye Name: (2-fluorophenyl)methyl 2-[[4-(2-furylmethylamino)-3-nitro-phenyl]sulfonylamino]acetate CAS Name: 2-[[4-(2-furanylmethylamino)-3-nitrophenyl]sulfonylamino]acetic acid (2-fluorophenyl)methyl ester IUPAC Name: (2-fluorophenyl)methyl 2-[[4-(furan-2-ylmethylamino)-3-nitrophenyl]sulfonylamino]acetate Traditional Name: 2-[[4-(2-furfurylamino)-3-nitro-phenyl]sulfonylamino]acetic acid (2-fluorobenzyl) ester Formula: C20H18FN3O7S MolecularWeight: 463.436223

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H18FN3O7S/c21-17-6-2-1-4-14(17)13-31-20(25)12-23-32(28,29)16-7-8-18(19(10-16)24(26)27)22-11-15-5-3-9-30-15/h1-10,22-23H,11-13H2