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

Systemtic Name: butyl 5-[(4-bromophenyl)sulfonylamino]-2,6-dimethyl-1-benzofuran-3-carboxylate Openeye Name: butyl 5-[(4-bromophenyl)sulfonylamino]-2,6-dimethyl-benzofuran-3-carboxylate CAS Name: 5-[(4-bromophenyl)sulfonylamino]-2,6-dimethyl-3-benzofurancarboxylic acid butyl ester IUPAC Name: butyl 5-[(4-bromophenyl)sulfonylamino]-2,6-dimethyl-1-benzofuran-3-carboxylate Traditional Name: 5-(brosylamino)-2,6-dimethyl-benzofuran-3-carboxylic acid butyl ester Formula: C21H22BrNO5S MolecularWeight: 480.37208

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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