ethyl 5-[[2-(4-chlorophenyl)carbonylphenyl]carbonyl-(4-methylphenyl)sulfonyl-amino]-2-methyl-1-benzofuran-3-carboxylate

Systemtic Name: ethyl 5-[[2-(4-chlorophenyl)carbonylphenyl]carbonyl-(4-methylphenyl)sulfonyl-amino]-2-methyl-1-benzofuran-3-carboxylate Openeye Name: ethyl 5-[[2-(4-chlorobenzoyl)benzoyl]-(p-tolylsulfonyl)amino]-2-methyl-benzofuran-3-carboxylate CAS Name: 5-[[[2-[(4-chlorophenyl)-oxomethyl]phenyl]-oxomethyl]-(4-methylphenyl)sulfonylamino]-2-methyl-3-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 5-[[2-(4-chlorobenzoyl)benzoyl]-(4-methylphenyl)sulfonylamino]-2-methyl-1-benzofuran-3-carboxylate Traditional Name: 5-[[2-(4-chlorobenzoyl)benzoyl]-tosyl-amino]-2-methyl-benzofuran-3-carboxylic acid ethyl ester Formula: C33H26ClNO7S MolecularWeight: 616.08004

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC2=C1C=C(C=C2)N(C(=O)C3=CC=CC=C3C(=O)C4=CC=C(C=C4)Cl)S(=O)(=O)C5=CC=C(C=C5)C)C

Isomeric SMILES

CCOC(=O)C1=C(OC2=C1C=C(C=C2)N(C(=O)C3=CC=CC=C3C(=O)C4=CC=C(C=C4)Cl)S(=O)(=O)C5=CC=C(C=C5)C)C

InChI

InChI=1S/C33H26ClNO7S/c1-4-41-33(38)30-21(3)42-29-18-15-24(19-28(29)30)35(43(39,40)25-16-9-20(2)10-17-25)32(37)27-8-6-5-7-26(27)31(36)22-11-13-23(34)14-12-22/h5-19H,4H2,1-3H3