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

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

Click to see the large picture

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(=C4)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=C(C=C(C(=C4)C)C)C

InChI

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