(4-cyano-2-fluoranyl-phenyl)methyl 2-[(3-nitrophenyl)sulfonylamino]benzoate

Systemtic Name: (4-cyano-2-fluoranyl-phenyl)methyl 2-[(3-nitrophenyl)sulfonylamino]benzoate Openeye Name: (4-cyano-2-fluoro-phenyl)methyl 2-[(3-nitrophenyl)sulfonylamino]benzoate CAS Name: 2-[(3-nitrophenyl)sulfonylamino]benzoic acid (4-cyano-2-fluorophenyl)methyl ester IUPAC Name: (4-cyano-2-fluorophenyl)methyl 2-[(3-nitrophenyl)sulfonylamino]benzoate Traditional Name: 2-[(3-nitrophenyl)sulfonylamino]benzoic acid (4-cyano-2-fluoro-benzyl) ester Formula: C21H14FN3O6S MolecularWeight: 455.415763

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)OCC2=C(C=C(C=C2)C#N)F)NS(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)OCC2=C(C=C(C=C2)C#N)F)NS(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H14FN3O6S/c22-19-10-14(12-23)8-9-15(19)13-31-21(26)18-6-1-2-7-20(18)24-32(29,30)17-5-3-4-16(11-17)25(27)28/h1-11,24H,13H2