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

Systemtic Name: ethyl 7-bromanyl-2-methyl-5-[(4-methylphenyl)sulfonylamino]-1-benzofuran-3-carboxylate Openeye Name: ethyl 7-bromo-2-methyl-5-(p-tolylsulfonylamino)benzofuran-3-carboxylate CAS Name: 7-bromo-2-methyl-5-[(4-methylphenyl)sulfonylamino]-3-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 7-bromo-2-methyl-5-[(4-methylphenyl)sulfonylamino]-1-benzofuran-3-carboxylate Traditional Name: 7-bromo-2-methyl-5-(tosylamino)benzofuran-3-carboxylic acid ethyl ester Formula: C19H18BrNO5S MolecularWeight: 452.31892

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H18BrNO5S/c1-4-25-19(22)17-12(3)26-18-15(17)9-13(10-16(18)20)21-27(23,24)14-7-5-11(2)6-8-14/h5-10,21H,4H2,1-3H3