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

Systemtic Name: methyl 5-[[2-(4-chlorophenyl)carbonylphenyl]carbonyl-(phenylsulfonyl)amino]-2-methyl-1-benzofuran-3-carboxylate Openeye Name: methyl 5-[benzenesulfonyl-[2-(4-chlorobenzoyl)benzoyl]amino]-2-methyl-benzofuran-3-carboxylate CAS Name: 5-[benzenesulfonyl-[[2-[(4-chlorophenyl)-oxomethyl]phenyl]-oxomethyl]amino]-2-methyl-3-benzofurancarboxylic acid methyl ester IUPAC Name: methyl 5-[benzenesulfonyl-[2-(4-chlorobenzoyl)benzoyl]amino]-2-methyl-1-benzofuran-3-carboxylate Traditional Name: 5-[besyl-[2-(4-chlorobenzoyl)benzoyl]amino]-2-methyl-benzofuran-3-carboxylic acid methyl ester Formula: C31H22ClNO7S MolecularWeight: 588.02688

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(O1)C=CC(=C2)N(C(=O)C3=CC=CC=C3C(=O)C4=CC=C(C=C4)Cl)S(=O)(=O)C5=CC=CC=C5)C(=O)OC

Isomeric SMILES

CC1=C(C2=C(O1)C=CC(=C2)N(C(=O)C3=CC=CC=C3C(=O)C4=CC=C(C=C4)Cl)S(=O)(=O)C5=CC=CC=C5)C(=O)OC

InChI

InChI=1S/C31H22ClNO7S/c1-19-28(31(36)39-2)26-18-22(16-17-27(26)40-19)33(41(37,38)23-8-4-3-5-9-23)30(35)25-11-7-6-10-24(25)29(34)20-12-14-21(32)15-13-20/h3-18H,1-2H3