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

Systemtic Name: methyl 2-methyl-5-[[4-(2-methylpropyl)phenyl]sulfonyl-pyridin-4-ylcarbonyl-amino]-1-benzofuran-3-carboxylate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C27H26N2O6S MolecularWeight: 506.57014

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(O1)C=CC(=C2)N(C(=O)C3=CC=NC=C3)S(=O)(=O)C4=CC=C(C=C4)CC(C)C)C(=O)OC

Isomeric SMILES

CC1=C(C2=C(O1)C=CC(=C2)N(C(=O)C3=CC=NC=C3)S(=O)(=O)C4=CC=C(C=C4)CC(C)C)C(=O)OC

InChI

InChI=1S/C27H26N2O6S/c1-17(2)15-19-5-8-22(9-6-19)36(32,33)29(26(30)20-11-13-28-14-12-20)21-7-10-24-23(16-21)25(18(3)35-24)27(31)34-4/h5-14,16-17H,15H2,1-4H3