(6-nitro-4H-1,3-benzodioxin-8-yl)methyl 4-chloranyl-3-(dimethylsulfamoyl)benzoate

Systemtic Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 4-chloranyl-3-(dimethylsulfamoyl)benzoate Openeye Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 4-chloro-3-(dimethylsulfamoyl)benzoate CAS Name: 4-chloro-3-(dimethylsulfamoyl)benzoic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester IUPAC Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 4-chloro-3-(dimethylsulfamoyl)benzoate Traditional Name: 4-chloro-3-(dimethylsulfamoyl)benzoic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C18H17ClN2O8S MolecularWeight: 456.85418

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)S(=O)(=O)C1=C(C=CC(=C1)C(=O)OCC2=C3C(=CC(=C2)[N+](=O)[O-])COCO3)Cl

Isomeric SMILES

CN(C)S(=O)(=O)C1=C(C=CC(=C1)C(=O)OCC2=C3C(=CC(=C2)[N+](=O)[O-])COCO3)Cl

InChI

InChI=1S/C18H17ClN2O8S/c1-20(2)30(25,26)16-7-11(3-4-15(16)19)18(22)28-9-13-6-14(21(23)24)5-12-8-27-10-29-17(12)13/h3-7H,8-10H2,1-2H3