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

Systemtic Name: octyl 5-[(4-bromophenyl)sulfonylamino]-2-methyl-benzo[g][1]benzofuran-3-carboxylate Openeye Name: octyl 5-[(4-bromophenyl)sulfonylamino]-2-methyl-benzo[g]benzofuran-3-carboxylate CAS Name: 5-[(4-bromophenyl)sulfonylamino]-2-methyl-3-benzo[g]benzofurancarboxylic acid octyl ester IUPAC Name: octyl 5-[(4-bromophenyl)sulfonylamino]-2-methylbenzo[g][1]benzofuran-3-carboxylate Traditional Name: 5-(brosylamino)-2-methyl-benzo[g]benzofuran-3-carboxylic acid octyl ester Formula: C28H30BrNO5S MolecularWeight: 572.5105

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC(=O)C1=C(OC2=C1C=C(C3=CC=CC=C32)NS(=O)(=O)C4=CC=C(C=C4)Br)C

Isomeric SMILES

CCCCCCCCOC(=O)C1=C(OC2=C1C=C(C3=CC=CC=C32)NS(=O)(=O)C4=CC=C(C=C4)Br)C

InChI

InChI=1S/C28H30BrNO5S/c1-3-4-5-6-7-10-17-34-28(31)26-19(2)35-27-23-12-9-8-11-22(23)25(18-24(26)27)30-36(32,33)21-15-13-20(29)14-16-21/h8-9,11-16,18,30H,3-7,10,17H2,1-2H3