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

Systemtic Name: (phenylmethyl) 5-[(4-bromophenyl)sulfonylamino]-2-methyl-benzo[g][1]benzofuran-3-carboxylate Openeye Name: benzyl 5-[(4-bromophenyl)sulfonylamino]-2-methyl-benzo[g]benzofuran-3-carboxylate CAS Name: 5-[(4-bromophenyl)sulfonylamino]-2-methyl-3-benzo[g]benzofurancarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 5-[(4-bromophenyl)sulfonylamino]-2-methylbenzo[g][1]benzofuran-3-carboxylate Traditional Name: 5-(brosylamino)-2-methyl-benzo[g]benzofuran-3-carboxylic acid benzyl ester Formula: C27H20BrNO5S MolecularWeight: 550.4204

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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)OCC5=CC=CC=C5

Isomeric SMILES

CC1=C(C2=C(O1)C3=CC=CC=C3C(=C2)NS(=O)(=O)C4=CC=C(C=C4)Br)C(=O)OCC5=CC=CC=C5

InChI

InChI=1S/C27H20BrNO5S/c1-17-25(27(30)33-16-18-7-3-2-4-8-18)23-15-24(21-9-5-6-10-22(21)26(23)34-17)29-35(31,32)20-13-11-19(28)12-14-20/h2-15,29H,16H2,1H3