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

Systemtic Name: methyl 5-[(4-bromophenyl)sulfonylamino]-2-methyl-benzo[g][1]benzofuran-3-carboxylate Openeye Name: methyl 5-[(4-bromophenyl)sulfonylamino]-2-methyl-benzo[g]benzofuran-3-carboxylate CAS Name: 5-[(4-bromophenyl)sulfonylamino]-2-methyl-3-benzo[g]benzofurancarboxylic acid methyl ester IUPAC Name: methyl 5-[(4-bromophenyl)sulfonylamino]-2-methylbenzo[g][1]benzofuran-3-carboxylate Traditional Name: 5-(brosylamino)-2-methyl-benzo[g]benzofuran-3-carboxylic acid methyl ester Formula: C21H16BrNO5S MolecularWeight: 474.32444

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(O1)C3=CC=CC=C3C(=C2)NS(=O)(=O)C4=CC=C(C=C4)Br)C(=O)OC

Isomeric SMILES

CC1=C(C2=C(O1)C3=CC=CC=C3C(=C2)NS(=O)(=O)C4=CC=C(C=C4)Br)C(=O)OC

InChI

InChI=1S/C21H16BrNO5S/c1-12-19(21(24)27-2)17-11-18(15-5-3-4-6-16(15)20(17)28-12)23-29(25,26)14-9-7-13(22)8-10-14/h3-11,23H,1-2H3