ethyl 5-[butanoyl-(2,4,6-trimethylphenyl)sulfonyl-amino]-2-phenyl-1-benzofuran-3-carboxylate

Systemtic Name: ethyl 5-[butanoyl-(2,4,6-trimethylphenyl)sulfonyl-amino]-2-phenyl-1-benzofuran-3-carboxylate Openeye Name: ethyl 5-[butanoyl-(2,4,6-trimethylphenyl)sulfonyl-amino]-2-phenyl-benzofuran-3-carboxylate CAS Name: 5-[1-oxobutyl-(2,4,6-trimethylphenyl)sulfonylamino]-2-phenyl-3-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 5-[butanoyl-(2,4,6-trimethylphenyl)sulfonylamino]-2-phenyl-1-benzofuran-3-carboxylate Traditional Name: 5-[butyryl(mesitylsulfonyl)amino]-2-phenyl-benzofuran-3-carboxylic acid ethyl ester Formula: C30H31NO6S MolecularWeight: 533.63524

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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=C(C=C(C=C4C)C)C

Isomeric SMILES

CCCC(=O)N(C1=CC2=C(C=C1)OC(=C2C(=O)OCC)C3=CC=CC=C3)S(=O)(=O)C4=C(C=C(C=C4C)C)C

InChI

InChI=1S/C30H31NO6S/c1-6-11-26(32)31(38(34,35)29-20(4)16-19(3)17-21(29)5)23-14-15-25-24(18-23)27(30(33)36-7-2)28(37-25)22-12-9-8-10-13-22/h8-10,12-18H,6-7,11H2,1-5H3