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

Systemtic Name: ethyl 5-[(4-methylphenyl)carbonyl-(phenylsulfonyl)amino]-2-phenyl-1-benzofuran-3-carboxylate Openeye Name: ethyl 5-[benzenesulfonyl-(4-methylbenzoyl)amino]-2-phenyl-benzofuran-3-carboxylate CAS Name: 5-[benzenesulfonyl-[(4-methylphenyl)-oxomethyl]amino]-2-phenyl-3-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 5-[benzenesulfonyl-(4-methylbenzoyl)amino]-2-phenyl-1-benzofuran-3-carboxylate Traditional Name: 5-[besyl(p-toluoyl)amino]-2-phenyl-benzofuran-3-carboxylic acid ethyl ester Formula: C31H25NO6S MolecularWeight: 539.5983

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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=CC=C4)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=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C31H25NO6S/c1-3-37-31(34)28-26-20-24(18-19-27(26)38-29(28)22-10-6-4-7-11-22)32(30(33)23-16-14-21(2)15-17-23)39(35,36)25-12-8-5-9-13-25/h4-20H,3H2,1-2H3