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

Systemtic Name: ethyl 5-[(2,4-dimethylphenyl)sulfonyl-pyridin-4-ylcarbonyl-amino]-2-phenyl-1-benzofuran-3-carboxylate Openeye Name: ethyl 5-[(2,4-dimethylphenyl)sulfonyl-(pyridine-4-carbonyl)amino]-2-phenyl-benzofuran-3-carboxylate CAS Name: 5-[(2,4-dimethylphenyl)sulfonyl-[oxo(pyridin-4-yl)methyl]amino]-2-phenyl-3-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 5-[(2,4-dimethylphenyl)sulfonyl-(pyridine-4-carbonyl)amino]-2-phenyl-1-benzofuran-3-carboxylate Traditional Name: 5-[(2,4-dimethylphenyl)sulfonyl-isonicotinoyl-amino]-2-phenyl-benzofuran-3-carboxylic acid ethyl ester Formula: C31H26N2O6S MolecularWeight: 554.61294

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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=C(C=C(C=C4)C)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=C(C=C(C=C4)C)C)C5=CC=CC=C5

InChI

InChI=1S/C31H26N2O6S/c1-4-38-31(35)28-25-19-24(11-12-26(25)39-29(28)22-8-6-5-7-9-22)33(30(34)23-14-16-32-17-15-23)40(36,37)27-13-10-20(2)18-21(27)3/h5-19H,4H2,1-3H3