methyl 5-[(4-acetamidophenyl)sulfonyl-(4-methylphenyl)carbonyl-amino]-2-methyl-1-benzofuran-3-carboxylate

Systemtic Name: methyl 5-[(4-acetamidophenyl)sulfonyl-(4-methylphenyl)carbonyl-amino]-2-methyl-1-benzofuran-3-carboxylate Openeye Name: methyl 5-[(4-acetamidophenyl)sulfonyl-(4-methylbenzoyl)amino]-2-methyl-benzofuran-3-carboxylate CAS Name: 5-[(4-acetamidophenyl)sulfonyl-[(4-methylphenyl)-oxomethyl]amino]-2-methyl-3-benzofurancarboxylic acid methyl ester IUPAC Name: methyl 5-[(4-acetamidophenyl)sulfonyl-(4-methylbenzoyl)amino]-2-methyl-1-benzofuran-3-carboxylate Traditional Name: 5-[(4-acetamidophenyl)sulfonyl-p-toluoyl-amino]-2-methyl-benzofuran-3-carboxylic acid methyl ester Formula: C27H24N2O7S MolecularWeight: 520.55366

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)N(C2=CC3=C(C=C2)OC(=C3C(=O)OC)C)S(=O)(=O)C4=CC=C(C=C4)NC(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)N(C2=CC3=C(C=C2)OC(=C3C(=O)OC)C)S(=O)(=O)C4=CC=C(C=C4)NC(=O)C

InChI

InChI=1S/C27H24N2O7S/c1-16-5-7-19(8-6-16)26(31)29(37(33,34)22-12-9-20(10-13-22)28-18(3)30)21-11-14-24-23(15-21)25(17(2)36-24)27(32)35-4/h5-15H,1-4H3,(H,28,30)