ethyl 7-bromanyl-2-methyl-5-[(2,4,5-trimethylphenyl)sulfonylamino]-1-benzofuran-3-carboxylate

Systemtic Name: ethyl 7-bromanyl-2-methyl-5-[(2,4,5-trimethylphenyl)sulfonylamino]-1-benzofuran-3-carboxylate Openeye Name: ethyl 7-bromo-2-methyl-5-[(2,4,5-trimethylphenyl)sulfonylamino]benzofuran-3-carboxylate CAS Name: 7-bromo-2-methyl-5-[(2,4,5-trimethylphenyl)sulfonylamino]-3-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 7-bromo-2-methyl-5-[(2,4,5-trimethylphenyl)sulfonylamino]-1-benzofuran-3-carboxylate Traditional Name: 7-bromo-2-methyl-5-[(2,4,5-trimethylphenyl)sulfonylamino]benzofuran-3-carboxylic acid ethyl ester Formula: C21H22BrNO5S MolecularWeight: 480.37208

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC2=C(C=C(C=C12)NS(=O)(=O)C3=C(C=C(C(=C3)C)C)C)Br)C

Isomeric SMILES

CCOC(=O)C1=C(OC2=C(C=C(C=C12)NS(=O)(=O)C3=C(C=C(C(=C3)C)C)C)Br)C

InChI

InChI=1S/C21H22BrNO5S/c1-6-27-21(24)19-14(5)28-20-16(19)9-15(10-17(20)22)23-29(25,26)18-8-12(3)11(2)7-13(18)4/h7-10,23H,6H2,1-5H3