ethyl 2-phenyl-5-[phenylsulfonyl(pyridin-4-ylcarbonyl)amino]-1-benzofuran-3-carboxylate

Systemtic Name: ethyl 2-phenyl-5-[phenylsulfonyl(pyridin-4-ylcarbonyl)amino]-1-benzofuran-3-carboxylate Openeye Name: ethyl 5-[benzenesulfonyl(pyridine-4-carbonyl)amino]-2-phenyl-benzofuran-3-carboxylate CAS Name: 5-[benzenesulfonyl-[oxo(pyridin-4-yl)methyl]amino]-2-phenyl-3-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 5-[benzenesulfonyl(pyridine-4-carbonyl)amino]-2-phenyl-1-benzofuran-3-carboxylate Traditional Name: 5-[besyl(isonicotinoyl)amino]-2-phenyl-benzofuran-3-carboxylic acid ethyl ester Formula: C29H22N2O6S MolecularWeight: 526.55978

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC2=C1C=C(C=C2)N(C(=O)C3=CC=NC=C3)S(=O)(=O)C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CCOC(=O)C1=C(OC2=C1C=C(C=C2)N(C(=O)C3=CC=NC=C3)S(=O)(=O)C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C29H22N2O6S/c1-2-36-29(33)26-24-19-22(13-14-25(24)37-27(26)20-9-5-3-6-10-20)31(28(32)21-15-17-30-18-16-21)38(34,35)23-11-7-4-8-12-23/h3-19H,2H2,1H3