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

Systemtic Name: ethyl 5-[(4-acetamidophenyl)sulfonyl-butanoyl-amino]-2-phenyl-1-benzofuran-3-carboxylate Openeye Name: ethyl 5-[(4-acetamidophenyl)sulfonyl-butanoyl-amino]-2-phenyl-benzofuran-3-carboxylate CAS Name: 5-[(4-acetamidophenyl)sulfonyl-(1-oxobutyl)amino]-2-phenyl-3-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 5-[(4-acetamidophenyl)sulfonyl-butanoylamino]-2-phenyl-1-benzofuran-3-carboxylate Traditional Name: 5-[(4-acetamidophenyl)sulfonyl-butyryl-amino]-2-phenyl-benzofuran-3-carboxylic acid ethyl ester Formula: C29H28N2O7S MolecularWeight: 548.60682

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)N(C1=CC2=C(C=C1)OC(=C2C(=O)OCC)C3=CC=CC=C3)S(=O)(=O)C4=CC=C(C=C4)NC(=O)C

Isomeric SMILES

CCCC(=O)N(C1=CC2=C(C=C1)OC(=C2C(=O)OCC)C3=CC=CC=C3)S(=O)(=O)C4=CC=C(C=C4)NC(=O)C

InChI

InChI=1S/C29H28N2O7S/c1-4-9-26(33)31(39(35,36)23-15-12-21(13-16-23)30-19(3)32)22-14-17-25-24(18-22)27(29(34)37-5-2)28(38-25)20-10-7-6-8-11-20/h6-8,10-18H,4-5,9H2,1-3H3,(H,30,32)