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

Systemtic Name: ethyl 5-[cyclohexylcarbonyl-(4-methylphenyl)sulfonyl-amino]-2-phenyl-1-benzofuran-3-carboxylate Openeye Name: ethyl 5-[cyclohexanecarbonyl(p-tolylsulfonyl)amino]-2-phenyl-benzofuran-3-carboxylate CAS Name: 5-[[cyclohexyl(oxo)methyl]-(4-methylphenyl)sulfonylamino]-2-phenyl-3-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 5-[cyclohexanecarbonyl-(4-methylphenyl)sulfonylamino]-2-phenyl-1-benzofuran-3-carboxylate Traditional Name: 5-[cyclohexanecarbonyl(tosyl)amino]-2-phenyl-benzofuran-3-carboxylic acid ethyl ester Formula: C31H31NO6S MolecularWeight: 545.64594

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC2=C1C=C(C=C2)N(C(=O)C3CCCCC3)S(=O)(=O)C4=CC=C(C=C4)C)C5=CC=CC=C5

Isomeric SMILES

CCOC(=O)C1=C(OC2=C1C=C(C=C2)N(C(=O)C3CCCCC3)S(=O)(=O)C4=CC=C(C=C4)C)C5=CC=CC=C5

InChI

InChI=1S/C31H31NO6S/c1-3-37-31(34)28-26-20-24(16-19-27(26)38-29(28)22-10-6-4-7-11-22)32(30(33)23-12-8-5-9-13-23)39(35,36)25-17-14-21(2)15-18-25/h4,6-7,10-11,14-20,23H,3,5,8-9,12-13H2,1-2H3