[2-(1-benzofuran-2-yl)-2-oxidanylidene-ethyl] 4-bromanyl-3-morpholin-4-ylsulfonyl-benzoate

Systemtic Name: [2-(1-benzofuran-2-yl)-2-oxidanylidene-ethyl] 4-bromanyl-3-morpholin-4-ylsulfonyl-benzoate Openeye Name: [2-(benzofuran-2-yl)-2-oxo-ethyl] 4-bromo-3-morpholinosulfonyl-benzoate CAS Name: 4-bromo-3-(4-morpholinylsulfonyl)benzoic acid [2-(2-benzofuranyl)-2-oxoethyl] ester IUPAC Name: [2-(1-benzofuran-2-yl)-2-oxoethyl] 4-bromo-3-morpholin-4-ylsulfonylbenzoate Traditional Name: 4-bromo-3-morpholinosulfonyl-benzoic acid [2-(benzofuran-2-yl)-2-keto-ethyl] ester Formula: C21H18BrNO7S MolecularWeight: 508.33912

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=C(C=CC(=C2)C(=O)OCC(=O)C3=CC4=CC=CC=C4O3)Br

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=C(C=CC(=C2)C(=O)OCC(=O)C3=CC4=CC=CC=C4O3)Br

InChI

InChI=1S/C21H18BrNO7S/c22-16-6-5-15(12-20(16)31(26,27)23-7-9-28-10-8-23)21(25)29-13-17(24)19-11-14-3-1-2-4-18(14)30-19/h1-6,11-12H,7-10,13H2