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

Systemtic Name: ethyl 5-[cyclohexylcarbonyl-(4-methoxyphenyl)sulfonyl-amino]-2-phenyl-1-benzofuran-3-carboxylate Openeye Name: ethyl 5-[cyclohexanecarbonyl-(4-methoxyphenyl)sulfonyl-amino]-2-phenyl-benzofuran-3-carboxylate CAS Name: 5-[[cyclohexyl(oxo)methyl]-(4-methoxyphenyl)sulfonylamino]-2-phenyl-3-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 5-[cyclohexanecarbonyl-(4-methoxyphenyl)sulfonylamino]-2-phenyl-1-benzofuran-3-carboxylate Traditional Name: 5-[cyclohexanecarbonyl-(4-methoxyphenyl)sulfonyl-amino]-2-phenyl-benzofuran-3-carboxylic acid ethyl ester Formula: C31H31NO7S MolecularWeight: 561.64534

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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)OC)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)OC)C5=CC=CC=C5

InChI

InChI=1S/C31H31NO7S/c1-3-38-31(34)28-26-20-23(14-19-27(26)39-29(28)21-10-6-4-7-11-21)32(30(33)22-12-8-5-9-13-22)40(35,36)25-17-15-24(37-2)16-18-25/h4,6-7,10-11,14-20,22H,3,5,8-9,12-13H2,1-2H3