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

Systemtic Name: methyl 5-[(4-bromophenyl)sulfonyl-(4-methylphenyl)carbonyl-amino]-2-methyl-1-benzofuran-3-carboxylate Openeye Name: methyl 5-[(4-bromophenyl)sulfonyl-(4-methylbenzoyl)amino]-2-methyl-benzofuran-3-carboxylate CAS Name: 5-[(4-bromophenyl)sulfonyl-[(4-methylphenyl)-oxomethyl]amino]-2-methyl-3-benzofurancarboxylic acid methyl ester IUPAC Name: methyl 5-[(4-bromophenyl)sulfonyl-(4-methylbenzoyl)amino]-2-methyl-1-benzofuran-3-carboxylate Traditional Name: 5-[brosyl(p-toluoyl)amino]-2-methyl-benzofuran-3-carboxylic acid methyl ester Formula: C25H20BrNO6S MolecularWeight: 542.3984

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)N(C2=CC3=C(C=C2)OC(=C3C(=O)OC)C)S(=O)(=O)C4=CC=C(C=C4)Br

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)N(C2=CC3=C(C=C2)OC(=C3C(=O)OC)C)S(=O)(=O)C4=CC=C(C=C4)Br

InChI

InChI=1S/C25H20BrNO6S/c1-15-4-6-17(7-5-15)24(28)27(34(30,31)20-11-8-18(26)9-12-20)19-10-13-22-21(14-19)23(16(2)33-22)25(29)32-3/h4-14H,1-3H3