(4-bromophenyl)methyl 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)butanoate

Systemtic Name: (4-bromophenyl)methyl 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)butanoate Openeye Name: (4-bromophenyl)methyl 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)butanoate CAS Name: 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)butanoic acid (4-bromophenyl)methyl ester IUPAC Name: (4-bromophenyl)methyl 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)butanoate Traditional Name: 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)butyric acid (4-bromobenzyl) ester Formula: C19H20BrNO6S MolecularWeight: 470.3342

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)S(=O)(=O)NCCCC(=O)OCC3=CC=C(C=C3)Br

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)S(=O)(=O)NCCCC(=O)OCC3=CC=C(C=C3)Br

InChI

InChI=1S/C19H20BrNO6S/c20-15-5-3-14(4-6-15)13-27-19(22)2-1-9-21-28(23,24)16-7-8-17-18(12-16)26-11-10-25-17/h3-8,12,21H,1-2,9-11,13H2