(phenylmethyl) 5-[[2,5-bis(bromanyl)phenyl]sulfonylamino]-2-methyl-1-benzofuran-3-carboxylate

Systemtic Name: (phenylmethyl) 5-[[2,5-bis(bromanyl)phenyl]sulfonylamino]-2-methyl-1-benzofuran-3-carboxylate Openeye Name: benzyl 5-[(2,5-dibromophenyl)sulfonylamino]-2-methyl-benzofuran-3-carboxylate CAS Name: 5-[(2,5-dibromophenyl)sulfonylamino]-2-methyl-3-benzofurancarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 5-[(2,5-dibromophenyl)sulfonylamino]-2-methyl-1-benzofuran-3-carboxylate Traditional Name: 5-[(2,5-dibromophenyl)sulfonylamino]-2-methyl-benzofuran-3-carboxylic acid benzyl ester Formula: C23H17Br2NO5S MolecularWeight: 579.25778

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(O1)C=CC(=C2)NS(=O)(=O)C3=C(C=CC(=C3)Br)Br)C(=O)OCC4=CC=CC=C4

Isomeric SMILES

CC1=C(C2=C(O1)C=CC(=C2)NS(=O)(=O)C3=C(C=CC(=C3)Br)Br)C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C23H17Br2NO5S/c1-14-22(23(27)30-13-15-5-3-2-4-6-15)18-12-17(8-10-20(18)31-14)26-32(28,29)21-11-16(24)7-9-19(21)25/h2-12,26H,13H2,1H3