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

Systemtic Name: ethyl 5-[(4-acetamidophenyl)sulfonyl-pyridin-4-ylcarbonyl-amino]-2-phenyl-1-benzofuran-3-carboxylate Openeye Name: ethyl 5-[(4-acetamidophenyl)sulfonyl-(pyridine-4-carbonyl)amino]-2-phenyl-benzofuran-3-carboxylate CAS Name: 5-[(4-acetamidophenyl)sulfonyl-[oxo(pyridin-4-yl)methyl]amino]-2-phenyl-3-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 5-[(4-acetamidophenyl)sulfonyl-(pyridine-4-carbonyl)amino]-2-phenyl-1-benzofuran-3-carboxylate Traditional Name: 5-[(4-acetamidophenyl)sulfonyl-isonicotinoyl-amino]-2-phenyl-benzofuran-3-carboxylic acid ethyl ester Formula: C31H25N3O7S MolecularWeight: 583.6111

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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=C(C=C4)NC(=O)C)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=C(C=C4)NC(=O)C)C5=CC=CC=C5

InChI

InChI=1S/C31H25N3O7S/c1-3-40-31(37)28-26-19-24(11-14-27(26)41-29(28)21-7-5-4-6-8-21)34(30(36)22-15-17-32-18-16-22)42(38,39)25-12-9-23(10-13-25)33-20(2)35/h4-19H,3H2,1-2H3,(H,33,35)