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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC2=C(C=C(C=C12)NS(=O)(=O)C3=CC=CC=C3C)Br)C

Isomeric SMILES

CCOC(=O)C1=C(OC2=C(C=C(C=C12)NS(=O)(=O)C3=CC=CC=C3C)Br)C

InChI

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