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

Systemtic Name: ethyl 2-methyl-5-[(4-methylphenyl)sulfonyl-pyridin-4-ylcarbonyl-amino]-1-benzofuran-3-carboxylate Openeye Name: ethyl 2-methyl-5-[p-tolylsulfonyl(pyridine-4-carbonyl)amino]benzofuran-3-carboxylate CAS Name: 2-methyl-5-[(4-methylphenyl)sulfonyl-[oxo(pyridin-4-yl)methyl]amino]-3-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 2-methyl-5-[(4-methylphenyl)sulfonyl-(pyridine-4-carbonyl)amino]-1-benzofuran-3-carboxylate Traditional Name: 5-[isonicotinoyl(tosyl)amino]-2-methyl-benzofuran-3-carboxylic acid ethyl ester Formula: C25H22N2O6S MolecularWeight: 478.51698

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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)C)C

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)C)C

InChI

InChI=1S/C25H22N2O6S/c1-4-32-25(29)23-17(3)33-22-10-7-19(15-21(22)23)27(24(28)18-11-13-26-14-12-18)34(30,31)20-8-5-16(2)6-9-20/h5-15H,4H2,1-3H3