[2-(3-bromophenyl)-2-oxidanylidene-ethyl] 3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)propanoate

Systemtic Name: [2-(3-bromophenyl)-2-oxidanylidene-ethyl] 3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)propanoate Openeye Name: [2-(3-bromophenyl)-2-oxo-ethyl] 3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)propanoate CAS Name: 3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)propanoic acid [2-(3-bromophenyl)-2-oxoethyl] ester IUPAC Name: [2-(3-bromophenyl)-2-oxoethyl] 3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)propanoate Traditional Name: 3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)propionic acid [2-(3-bromophenyl)-2-keto-ethyl] ester Formula: C19H18BrNO7S MolecularWeight: 484.31772

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)S(=O)(=O)NCCC(=O)OCC(=O)C3=CC(=CC=C3)Br

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)S(=O)(=O)NCCC(=O)OCC(=O)C3=CC(=CC=C3)Br

InChI

InChI=1S/C19H18BrNO7S/c20-14-3-1-2-13(10-14)16(22)12-28-19(23)6-7-21-29(24,25)15-4-5-17-18(11-15)27-9-8-26-17/h1-5,10-11,21H,6-9,12H2