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

Systemtic Name: ethyl 5-[(4-acetamidophenyl)sulfonyl-ethanoyl-amino]-2-methyl-1-benzofuran-3-carboxylate Openeye Name: ethyl 5-[(4-acetamidophenyl)sulfonyl-acetyl-amino]-2-methyl-benzofuran-3-carboxylate CAS Name: 5-[(4-acetamidophenyl)sulfonyl-acetylamino]-2-methyl-3-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 5-[(4-acetamidophenyl)sulfonyl-acetylamino]-2-methyl-1-benzofuran-3-carboxylate Traditional Name: 5-[(4-acetamidophenyl)sulfonyl-acetyl-amino]-2-methyl-benzofuran-3-carboxylic acid ethyl ester Formula: C22H22N2O7S MolecularWeight: 458.48428

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC2=C1C=C(C=C2)N(C(=O)C)S(=O)(=O)C3=CC=C(C=C3)NC(=O)C)C

Isomeric SMILES

CCOC(=O)C1=C(OC2=C1C=C(C=C2)N(C(=O)C)S(=O)(=O)C3=CC=C(C=C3)NC(=O)C)C

InChI

InChI=1S/C22H22N2O7S/c1-5-30-22(27)21-13(2)31-20-11-8-17(12-19(20)21)24(15(4)26)32(28,29)18-9-6-16(7-10-18)23-14(3)25/h6-12H,5H2,1-4H3,(H,23,25)