(6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 3-(dimethylsulfamoyl)benzoate

Systemtic Name: (6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 3-(dimethylsulfamoyl)benzoate Openeye Name: (6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 3-(dimethylsulfamoyl)benzoate CAS Name: 3-(dimethylsulfamoyl)benzoic acid (6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl ester IUPAC Name: (6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 3-(dimethylsulfamoyl)benzoate Traditional Name: 3-(dimethylsulfamoyl)benzoic acid (6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl ester Formula: C18H18BrNO6S MolecularWeight: 456.30762

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)S(=O)(=O)C1=CC=CC(=C1)C(=O)OCC2=CC3=C(C=C2Br)OCCO3

Isomeric SMILES

CN(C)S(=O)(=O)C1=CC=CC(=C1)C(=O)OCC2=CC3=C(C=C2Br)OCCO3

InChI

InChI=1S/C18H18BrNO6S/c1-20(2)27(22,23)14-5-3-4-12(8-14)18(21)26-11-13-9-16-17(10-15(13)19)25-7-6-24-16/h3-5,8-10H,6-7,11H2,1-2H3