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

Systemtic Name: ethyl 5-[butanoyl-(4-tert-butylphenyl)sulfonyl-amino]-2-phenyl-1-benzofuran-3-carboxylate Openeye Name: ethyl 5-[butanoyl-(4-tert-butylphenyl)sulfonyl-amino]-2-phenyl-benzofuran-3-carboxylate CAS Name: 5-[(4-tert-butylphenyl)sulfonyl-(1-oxobutyl)amino]-2-phenyl-3-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 5-[butanoyl-(4-tert-butylphenyl)sulfonylamino]-2-phenyl-1-benzofuran-3-carboxylate Traditional Name: 5-[(4-tert-butylphenyl)sulfonyl-butyryl-amino]-2-phenyl-benzofuran-3-carboxylic acid ethyl ester Formula: C31H33NO6S MolecularWeight: 547.66182

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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)C(C)(C)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)C(C)(C)C

InChI

InChI=1S/C31H33NO6S/c1-6-11-27(33)32(39(35,36)24-17-14-22(15-18-24)31(3,4)5)23-16-19-26-25(20-23)28(30(34)37-7-2)29(38-26)21-12-9-8-10-13-21/h8-10,12-20H,6-7,11H2,1-5H3