pentyl 5-[(4-bromophenyl)sulfonylamino]-2,6-dimethyl-1-benzofuran-3-carboxylate

Systemtic Name: pentyl 5-[(4-bromophenyl)sulfonylamino]-2,6-dimethyl-1-benzofuran-3-carboxylate Openeye Name: pentyl 5-[(4-bromophenyl)sulfonylamino]-2,6-dimethyl-benzofuran-3-carboxylate CAS Name: 5-[(4-bromophenyl)sulfonylamino]-2,6-dimethyl-3-benzofurancarboxylic acid pentyl ester IUPAC Name: pentyl 5-[(4-bromophenyl)sulfonylamino]-2,6-dimethyl-1-benzofuran-3-carboxylate Traditional Name: 5-(brosylamino)-2,6-dimethyl-benzofuran-3-carboxylic acid amyl ester Formula: C22H24BrNO5S MolecularWeight: 494.39866

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC(=O)C1=C(OC2=CC(=C(C=C21)NS(=O)(=O)C3=CC=C(C=C3)Br)C)C

Isomeric SMILES

CCCCCOC(=O)C1=C(OC2=CC(=C(C=C21)NS(=O)(=O)C3=CC=C(C=C3)Br)C)C

InChI

InChI=1S/C22H24BrNO5S/c1-4-5-6-11-28-22(25)21-15(3)29-20-12-14(2)19(13-18(20)21)24-30(26,27)17-9-7-16(23)8-10-17/h7-10,12-13,24H,4-6,11H2,1-3H3