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

Systemtic Name: pentyl 5-[(4-bromophenyl)sulfonylamino]-2-methyl-benzo[g][1]benzofuran-3-carboxylate Openeye Name: pentyl 5-[(4-bromophenyl)sulfonylamino]-2-methyl-benzo[g]benzofuran-3-carboxylate CAS Name: 5-[(4-bromophenyl)sulfonylamino]-2-methyl-3-benzo[g]benzofurancarboxylic acid pentyl ester IUPAC Name: pentyl 5-[(4-bromophenyl)sulfonylamino]-2-methylbenzo[g][1]benzofuran-3-carboxylate Traditional Name: 5-(brosylamino)-2-methyl-benzo[g]benzofuran-3-carboxylic acid amyl ester Formula: C25H24BrNO5S MolecularWeight: 530.43076

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H24BrNO5S/c1-3-4-7-14-31-25(28)23-16(2)32-24-20-9-6-5-8-19(20)22(15-21(23)24)27-33(29,30)18-12-10-17(26)11-13-18/h5-6,8-13,15,27H,3-4,7,14H2,1-2H3