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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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