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

Systemtic Name: ethyl 5-[(4-bromophenyl)sulfonyl-(4-methylphenyl)carbonyl-amino]-2-phenyl-1-benzofuran-3-carboxylate Openeye Name: ethyl 5-[(4-bromophenyl)sulfonyl-(4-methylbenzoyl)amino]-2-phenyl-benzofuran-3-carboxylate CAS Name: 5-[(4-bromophenyl)sulfonyl-[(4-methylphenyl)-oxomethyl]amino]-2-phenyl-3-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 5-[(4-bromophenyl)sulfonyl-(4-methylbenzoyl)amino]-2-phenyl-1-benzofuran-3-carboxylate Traditional Name: 5-[brosyl(p-toluoyl)amino]-2-phenyl-benzofuran-3-carboxylic acid ethyl ester Formula: C31H24BrNO6S MolecularWeight: 618.49436

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H24BrNO6S/c1-3-38-31(35)28-26-19-24(15-18-27(26)39-29(28)21-7-5-4-6-8-21)33(30(34)22-11-9-20(2)10-12-22)40(36,37)25-16-13-23(32)14-17-25/h4-19H,3H2,1-2H3