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

Systemtic Name: methyl 5-[(4-bromophenyl)sulfonylamino]-2-tert-butyl-benzo[g][1]benzofuran-3-carboxylate Openeye Name: methyl 5-[(4-bromophenyl)sulfonylamino]-2-tert-butyl-benzo[g]benzofuran-3-carboxylate CAS Name: 5-[(4-bromophenyl)sulfonylamino]-2-tert-butyl-3-benzo[g]benzofurancarboxylic acid methyl ester IUPAC Name: methyl 5-[(4-bromophenyl)sulfonylamino]-2-tert-butylbenzo[g][1]benzofuran-3-carboxylate Traditional Name: 5-(brosylamino)-2-tert-butyl-benzo[g]benzofuran-3-carboxylic acid methyl ester Formula: C24H22BrNO5S MolecularWeight: 516.40418

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C(C2=C(O1)C3=CC=CC=C3C(=C2)NS(=O)(=O)C4=CC=C(C=C4)Br)C(=O)OC

Isomeric SMILES

CC(C)(C)C1=C(C2=C(O1)C3=CC=CC=C3C(=C2)NS(=O)(=O)C4=CC=C(C=C4)Br)C(=O)OC

InChI

InChI=1S/C24H22BrNO5S/c1-24(2,3)22-20(23(27)30-4)18-13-19(16-7-5-6-8-17(16)21(18)31-22)26-32(28,29)15-11-9-14(25)10-12-15/h5-13,26H,1-4H3