methyl 5-[(4-bromophenyl)sulfonyl-pyridin-4-ylcarbonyl-amino]-2-methyl-1-benzofuran-3-carboxylate

Systemtic Name: methyl 5-[(4-bromophenyl)sulfonyl-pyridin-4-ylcarbonyl-amino]-2-methyl-1-benzofuran-3-carboxylate Openeye Name: methyl 5-[(4-bromophenyl)sulfonyl-(pyridine-4-carbonyl)amino]-2-methyl-benzofuran-3-carboxylate CAS Name: 5-[(4-bromophenyl)sulfonyl-[oxo(pyridin-4-yl)methyl]amino]-2-methyl-3-benzofurancarboxylic acid methyl ester IUPAC Name: methyl 5-[(4-bromophenyl)sulfonyl-(pyridine-4-carbonyl)amino]-2-methyl-1-benzofuran-3-carboxylate Traditional Name: 5-[brosyl(isonicotinoyl)amino]-2-methyl-benzofuran-3-carboxylic acid methyl ester Formula: C23H17BrN2O6S MolecularWeight: 529.35988

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(O1)C=CC(=C2)N(C(=O)C3=CC=NC=C3)S(=O)(=O)C4=CC=C(C=C4)Br)C(=O)OC

Isomeric SMILES

CC1=C(C2=C(O1)C=CC(=C2)N(C(=O)C3=CC=NC=C3)S(=O)(=O)C4=CC=C(C=C4)Br)C(=O)OC

InChI

InChI=1S/C23H17BrN2O6S/c1-14-21(23(28)31-2)19-13-17(5-8-20(19)32-14)26(22(27)15-9-11-25-12-10-15)33(29,30)18-6-3-16(24)4-7-18/h3-13H,1-2H3