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

Systemtic Name: ethyl 5-[(4-bromophenyl)sulfonyl-(4-chlorophenyl)carbonyl-amino]-2-phenyl-1-benzofuran-3-carboxylate Openeye Name: ethyl 5-[(4-bromophenyl)sulfonyl-(4-chlorobenzoyl)amino]-2-phenyl-benzofuran-3-carboxylate CAS Name: 5-[(4-bromophenyl)sulfonyl-[(4-chlorophenyl)-oxomethyl]amino]-2-phenyl-3-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 5-[(4-bromophenyl)sulfonyl-(4-chlorobenzoyl)amino]-2-phenyl-1-benzofuran-3-carboxylate Traditional Name: 5-[brosyl-(4-chlorobenzoyl)amino]-2-phenyl-benzofuran-3-carboxylic acid ethyl ester Formula: C30H21BrClNO6S MolecularWeight: 638.91284

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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)Cl)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)Cl)S(=O)(=O)C4=CC=C(C=C4)Br)C5=CC=CC=C5

InChI

InChI=1S/C30H21BrClNO6S/c1-2-38-30(35)27-25-18-23(14-17-26(25)39-28(27)19-6-4-3-5-7-19)33(29(34)20-8-12-22(32)13-9-20)40(36,37)24-15-10-21(31)11-16-24/h3-18H,2H2,1H3