(6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2-chloranyl-5-(dimethylsulfamoyl)benzoate

Systemtic Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2-chloranyl-5-(dimethylsulfamoyl)benzoate Openeye Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2-chloro-5-(dimethylsulfamoyl)benzoate CAS Name: 2-chloro-5-(dimethylsulfamoyl)benzoic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester IUPAC Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2-chloro-5-(dimethylsulfamoyl)benzoate Traditional Name: 2-chloro-5-(dimethylsulfamoyl)benzoic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C18H17ClN2O8S MolecularWeight: 456.85418

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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