(6-bromanyl-1,3-benzodioxol-5-yl)methyl 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)benzoate

Systemtic Name: (6-bromanyl-1,3-benzodioxol-5-yl)methyl 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)benzoate Openeye Name: (6-bromo-1,3-benzodioxol-5-yl)methyl 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)benzoate CAS Name: 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)benzoic acid (6-bromo-1,3-benzodioxol-5-yl)methyl ester IUPAC Name: (6-bromo-1,3-benzodioxol-5-yl)methyl 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)benzoate Traditional Name: 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)benzoic acid (6-bromo-1,3-benzodioxol-5-yl)methyl ester Formula: C23H18BrNO8S MolecularWeight: 548.35992

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)S(=O)(=O)NC3=CC=C(C=C3)C(=O)OCC4=CC5=C(C=C4Br)OCO5

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)S(=O)(=O)NC3=CC=C(C=C3)C(=O)OCC4=CC5=C(C=C4Br)OCO5

InChI

InChI=1S/C23H18BrNO8S/c24-18-11-22-20(32-13-33-22)9-15(18)12-31-23(26)14-1-3-16(4-2-14)25-34(27,28)17-5-6-19-21(10-17)30-8-7-29-19/h1-6,9-11,25H,7-8,12-13H2