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

Systemtic Name: ethyl 2-methyl-5-[[4-(2-methylpropyl)phenyl]sulfonyl-pyridin-4-ylcarbonyl-amino]-1-benzofuran-3-carboxylate Openeye Name: ethyl 5-[(4-isobutylphenyl)sulfonyl-(pyridine-4-carbonyl)amino]-2-methyl-benzofuran-3-carboxylate CAS Name: 2-methyl-5-[[4-(2-methylpropyl)phenyl]sulfonyl-[oxo(pyridin-4-yl)methyl]amino]-3-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 2-methyl-5-[[4-(2-methylpropyl)phenyl]sulfonyl-(pyridine-4-carbonyl)amino]-1-benzofuran-3-carboxylate Traditional Name: 5-[(4-isobutylphenyl)sulfonyl-isonicotinoyl-amino]-2-methyl-benzofuran-3-carboxylic acid ethyl ester Formula: C28H28N2O6S MolecularWeight: 520.59672

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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)CC(C)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)CC(C)C)C

InChI

InChI=1S/C28H28N2O6S/c1-5-35-28(32)26-19(4)36-25-11-8-22(17-24(25)26)30(27(31)21-12-14-29-15-13-21)37(33,34)23-9-6-20(7-10-23)16-18(2)3/h6-15,17-18H,5,16H2,1-4H3