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

Systemtic Name: ethyl 5-[cyclohexylcarbonyl-(4-fluorophenyl)sulfonyl-amino]-2-phenyl-1-benzofuran-3-carboxylate Openeye Name: ethyl 5-[cyclohexanecarbonyl-(4-fluorophenyl)sulfonyl-amino]-2-phenyl-benzofuran-3-carboxylate CAS Name: 5-[[cyclohexyl(oxo)methyl]-(4-fluorophenyl)sulfonylamino]-2-phenyl-3-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 5-[cyclohexanecarbonyl-(4-fluorophenyl)sulfonylamino]-2-phenyl-1-benzofuran-3-carboxylate Traditional Name: 5-[cyclohexanecarbonyl-(4-fluorophenyl)sulfonyl-amino]-2-phenyl-benzofuran-3-carboxylic acid ethyl ester Formula: C30H28FNO6S MolecularWeight: 549.609823

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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)F)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)F)C5=CC=CC=C5

InChI

InChI=1S/C30H28FNO6S/c1-2-37-30(34)27-25-19-23(15-18-26(25)38-28(27)20-9-5-3-6-10-20)32(29(33)21-11-7-4-8-12-21)39(35,36)24-16-13-22(31)14-17-24/h3,5-6,9-10,13-19,21H,2,4,7-8,11-12H2,1H3