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

Systemtic Name: ethyl 5-[(4-fluoranyl-2-methyl-phenyl)sulfonyl-pyridin-4-ylcarbonyl-amino]-2-methyl-1-benzofuran-3-carboxylate Openeye Name: ethyl 5-[(4-fluoro-2-methyl-phenyl)sulfonyl-(pyridine-4-carbonyl)amino]-2-methyl-benzofuran-3-carboxylate CAS Name: 5-[(4-fluoro-2-methylphenyl)sulfonyl-[oxo(pyridin-4-yl)methyl]amino]-2-methyl-3-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 5-[(4-fluoro-2-methylphenyl)sulfonyl-(pyridine-4-carbonyl)amino]-2-methyl-1-benzofuran-3-carboxylate Traditional Name: 5-[(4-fluoro-2-methyl-phenyl)sulfonyl-isonicotinoyl-amino]-2-methyl-benzofuran-3-carboxylic acid ethyl ester Formula: C25H21FN2O6S MolecularWeight: 496.507443

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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)F)C)C

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)F)C)C

InChI

InChI=1S/C25H21FN2O6S/c1-4-33-25(30)23-16(3)34-21-7-6-19(14-20(21)23)28(24(29)17-9-11-27-12-10-17)35(31,32)22-8-5-18(26)13-15(22)2/h5-14H,4H2,1-3H3