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

Systemtic Name: pentyl 5-[(4-bromophenyl)sulfonylamino]-2-methyl-1-benzofuran-3-carboxylate Openeye Name: pentyl 5-[(4-bromophenyl)sulfonylamino]-2-methyl-benzofuran-3-carboxylate CAS Name: 5-[(4-bromophenyl)sulfonylamino]-2-methyl-3-benzofurancarboxylic acid pentyl ester IUPAC Name: pentyl 5-[(4-bromophenyl)sulfonylamino]-2-methyl-1-benzofuran-3-carboxylate Traditional Name: 5-(brosylamino)-2-methyl-benzofuran-3-carboxylic acid amyl ester Formula: C21H22BrNO5S MolecularWeight: 480.37208

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC(=O)C1=C(OC2=C1C=C(C=C2)NS(=O)(=O)C3=CC=C(C=C3)Br)C

Isomeric SMILES

CCCCCOC(=O)C1=C(OC2=C1C=C(C=C2)NS(=O)(=O)C3=CC=C(C=C3)Br)C

InChI

InChI=1S/C21H22BrNO5S/c1-3-4-5-12-27-21(24)20-14(2)28-19-11-8-16(13-18(19)20)23-29(25,26)17-9-6-15(22)7-10-17/h6-11,13,23H,3-5,12H2,1-2H3