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

Systemtic Name: (6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 3-(prop-2-ynylsulfamoyl)benzoate Openeye Name: (6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 3-(prop-2-ynylsulfamoyl)benzoate CAS Name: 3-(prop-2-ynylsulfamoyl)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-(prop-2-ynylsulfamoyl)benzoate Traditional Name: 3-(propargylsulfamoyl)benzoic acid (6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl ester Formula: C19H16BrNO6S MolecularWeight: 466.30244

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Descriptors Computed from Structure

Canonical SMILES:

C#CCNS(=O)(=O)C1=CC=CC(=C1)C(=O)OCC2=CC3=C(C=C2Br)OCCO3

Isomeric SMILES

C#CCNS(=O)(=O)C1=CC=CC(=C1)C(=O)OCC2=CC3=C(C=C2Br)OCCO3

InChI

InChI=1S/C19H16BrNO6S/c1-2-6-21-28(23,24)15-5-3-4-13(9-15)19(22)27-12-14-10-17-18(11-16(14)20)26-8-7-25-17/h1,3-5,9-11,21H,6-8,12H2