(6-nitro-4H-1,3-benzodioxin-8-yl)methyl 3-[(4-fluorophenyl)sulfamoyl]benzoate

Systemtic Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 3-[(4-fluorophenyl)sulfamoyl]benzoate Openeye Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 3-[(4-fluorophenyl)sulfamoyl]benzoate CAS Name: 3-[(4-fluorophenyl)sulfamoyl]benzoic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester IUPAC Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 3-[(4-fluorophenyl)sulfamoyl]benzoate Traditional Name: 3-[(4-fluorophenyl)sulfamoyl]benzoic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C22H17FN2O8S MolecularWeight: 488.442383

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC(=CC(=C2OCO1)COC(=O)C3=CC(=CC=C3)S(=O)(=O)NC4=CC=C(C=C4)F)[N+](=O)[O-]

Isomeric SMILES

C1C2=CC(=CC(=C2OCO1)COC(=O)C3=CC(=CC=C3)S(=O)(=O)NC4=CC=C(C=C4)F)[N+](=O)[O-]

InChI

InChI=1S/C22H17FN2O8S/c23-17-4-6-18(7-5-17)24-34(29,30)20-3-1-2-14(10-20)22(26)32-12-16-9-19(25(27)28)8-15-11-31-13-33-21(15)16/h1-10,24H,11-13H2