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

Systemtic Name: (6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 4-methoxy-3-sulfamoyl-benzoate Openeye Name: (6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 4-methoxy-3-sulfamoyl-benzoate CAS Name: 4-methoxy-3-sulfamoylbenzoic 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-methoxy-3-sulfamoylbenzoate Traditional Name: 4-methoxy-3-sulfamoyl-benzoic acid (6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl ester Formula: C17H16BrNO7S MolecularWeight: 458.28044

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)OCC2=CC3=C(C=C2Br)OCCO3)S(=O)(=O)N

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)OCC2=CC3=C(C=C2Br)OCCO3)S(=O)(=O)N

InChI

InChI=1S/C17H16BrNO7S/c1-23-13-3-2-10(7-16(13)27(19,21)22)17(20)26-9-11-6-14-15(8-12(11)18)25-5-4-24-14/h2-3,6-8H,4-5,9H2,1H3,(H2,19,21,22)