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

Systemtic Name: (6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 4-(methylsulfamoyl)benzoate Openeye Name: (6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 4-(methylsulfamoyl)benzoate CAS Name: 4-(methylsulfamoyl)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 4-(methylsulfamoyl)benzoate Traditional Name: 4-(methylsulfamoyl)benzoic acid (6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl ester Formula: C17H16BrNO6S MolecularWeight: 442.28104

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CNS(=O)(=O)C1=CC=C(C=C1)C(=O)OCC2=CC3=C(C=C2Br)OCCO3

Isomeric SMILES

CNS(=O)(=O)C1=CC=C(C=C1)C(=O)OCC2=CC3=C(C=C2Br)OCCO3

InChI

InChI=1S/C17H16BrNO6S/c1-19-26(21,22)13-4-2-11(3-5-13)17(20)25-10-12-8-15-16(9-14(12)18)24-7-6-23-15/h2-5,8-9,19H,6-7,10H2,1H3