heptyl 5-[[2,5-bis(bromanyl)phenyl]sulfonylamino]-2-methyl-1-benzofuran-3-carboxylate

Systemtic Name: heptyl 5-[[2,5-bis(bromanyl)phenyl]sulfonylamino]-2-methyl-1-benzofuran-3-carboxylate Openeye Name: heptyl 5-[(2,5-dibromophenyl)sulfonylamino]-2-methyl-benzofuran-3-carboxylate CAS Name: 5-[(2,5-dibromophenyl)sulfonylamino]-2-methyl-3-benzofurancarboxylic acid heptyl ester IUPAC Name: heptyl 5-[(2,5-dibromophenyl)sulfonylamino]-2-methyl-1-benzofuran-3-carboxylate Traditional Name: 5-[(2,5-dibromophenyl)sulfonylamino]-2-methyl-benzofuran-3-carboxylic acid heptyl ester Formula: C23H25Br2NO5S MolecularWeight: 587.3213

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H25Br2NO5S/c1-3-4-5-6-7-12-30-23(27)22-15(2)31-20-11-9-17(14-18(20)22)26-32(28,29)21-13-16(24)8-10-19(21)25/h8-11,13-14,26H,3-7,12H2,1-2H3