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

Systemtic Name: heptyl 5-[(4-bromophenyl)sulfonylamino]-2-methyl-benzo[g][1]benzofuran-3-carboxylate Openeye Name: heptyl 5-[(4-bromophenyl)sulfonylamino]-2-methyl-benzo[g]benzofuran-3-carboxylate CAS Name: 5-[(4-bromophenyl)sulfonylamino]-2-methyl-3-benzo[g]benzofurancarboxylic acid heptyl ester IUPAC Name: heptyl 5-[(4-bromophenyl)sulfonylamino]-2-methylbenzo[g][1]benzofuran-3-carboxylate Traditional Name: 5-(brosylamino)-2-methyl-benzo[g]benzofuran-3-carboxylic acid heptyl ester Formula: C27H28BrNO5S MolecularWeight: 558.48392

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H28BrNO5S/c1-3-4-5-6-9-16-33-27(30)25-18(2)34-26-22-11-8-7-10-21(22)24(17-23(25)26)29-35(31,32)20-14-12-19(28)13-15-20/h7-8,10-15,17,29H,3-6,9,16H2,1-2H3