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

Systemtic Name: ethyl 5-[(4-tert-butylphenyl)sulfonyl-pyridin-4-ylcarbonyl-amino]-2-phenyl-1-benzofuran-3-carboxylate Openeye Name: ethyl 5-[(4-tert-butylphenyl)sulfonyl-(pyridine-4-carbonyl)amino]-2-phenyl-benzofuran-3-carboxylate CAS Name: 5-[(4-tert-butylphenyl)sulfonyl-[oxo(pyridin-4-yl)methyl]amino]-2-phenyl-3-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 5-[(4-tert-butylphenyl)sulfonyl-(pyridine-4-carbonyl)amino]-2-phenyl-1-benzofuran-3-carboxylate Traditional Name: 5-[(4-tert-butylphenyl)sulfonyl-isonicotinoyl-amino]-2-phenyl-benzofuran-3-carboxylic acid ethyl ester Formula: C33H30N2O6S MolecularWeight: 582.6661

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC2=C1C=C(C=C2)N(C(=O)C3=CC=NC=C3)S(=O)(=O)C4=CC=C(C=C4)C(C)(C)C)C5=CC=CC=C5

Isomeric SMILES

CCOC(=O)C1=C(OC2=C1C=C(C=C2)N(C(=O)C3=CC=NC=C3)S(=O)(=O)C4=CC=C(C=C4)C(C)(C)C)C5=CC=CC=C5

InChI

InChI=1S/C33H30N2O6S/c1-5-40-32(37)29-27-21-25(13-16-28(27)41-30(29)22-9-7-6-8-10-22)35(31(36)23-17-19-34-20-18-23)42(38,39)26-14-11-24(12-15-26)33(2,3)4/h6-21H,5H2,1-4H3