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

Systemtic Name: (4-fluorophenyl)methyl 2-[[4-(dimethylamino)-3-nitro-phenyl]sulfonylamino]ethanoate Openeye Name: (4-fluorophenyl)methyl 2-[[4-(dimethylamino)-3-nitro-phenyl]sulfonylamino]acetate CAS Name: 2-[[4-(dimethylamino)-3-nitrophenyl]sulfonylamino]acetic acid (4-fluorophenyl)methyl ester IUPAC Name: (4-fluorophenyl)methyl 2-[[4-(dimethylamino)-3-nitrophenyl]sulfonylamino]acetate Traditional Name: 2-[[4-(dimethylamino)-3-nitro-phenyl]sulfonylamino]acetic acid (4-fluorobenzyl) ester Formula: C17H18FN3O6S MolecularWeight: 411.404723

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=C(C=C(C=C1)S(=O)(=O)NCC(=O)OCC2=CC=C(C=C2)F)[N+](=O)[O-]

Isomeric SMILES

CN(C)C1=C(C=C(C=C1)S(=O)(=O)NCC(=O)OCC2=CC=C(C=C2)F)[N+](=O)[O-]

InChI

InChI=1S/C17H18FN3O6S/c1-20(2)15-8-7-14(9-16(15)21(23)24)28(25,26)19-10-17(22)27-11-12-3-5-13(18)6-4-12/h3-9,19H,10-11H2,1-2H3