(phenylmethyl) 5-[(4-bromophenyl)sulfonylamino]-2-methyl-1-benzofuran-3-carboxylate

Systemtic Name: (phenylmethyl) 5-[(4-bromophenyl)sulfonylamino]-2-methyl-1-benzofuran-3-carboxylate Openeye Name: benzyl 5-[(4-bromophenyl)sulfonylamino]-2-methyl-benzofuran-3-carboxylate CAS Name: 5-[(4-bromophenyl)sulfonylamino]-2-methyl-3-benzofurancarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 5-[(4-bromophenyl)sulfonylamino]-2-methyl-1-benzofuran-3-carboxylate Traditional Name: 5-(brosylamino)-2-methyl-benzofuran-3-carboxylic acid benzyl ester Formula: C23H18BrNO5S MolecularWeight: 500.36172

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H18BrNO5S/c1-15-22(23(26)29-14-16-5-3-2-4-6-16)20-13-18(9-12-21(20)30-15)25-31(27,28)19-10-7-17(24)8-11-19/h2-13,25H,14H2,1H3