ethyl 5-[2-(3-fluorophenyl)azepan-1-yl]sulfonyl-3-methyl-1-benzofuran-2-carboxylate

Systemtic Name: ethyl 5-[2-(3-fluorophenyl)azepan-1-yl]sulfonyl-3-methyl-1-benzofuran-2-carboxylate Openeye Name: ethyl 5-[2-(3-fluorophenyl)azepan-1-yl]sulfonyl-3-methyl-benzofuran-2-carboxylate CAS Name: 5-[[2-(3-fluorophenyl)-1-azepanyl]sulfonyl]-3-methyl-2-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 5-[2-(3-fluorophenyl)azepan-1-yl]sulfonyl-3-methyl-1-benzofuran-2-carboxylate Traditional Name: 5-[2-(3-fluorophenyl)azepan-1-yl]sulfonyl-3-methyl-coumarilic acid ethyl ester Formula: C24H26FNO5S MolecularWeight: 459.530343

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(O1)C=CC(=C2)S(=O)(=O)N3CCCCCC3C4=CC(=CC=C4)F)C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(O1)C=CC(=C2)S(=O)(=O)N3CCCCCC3C4=CC(=CC=C4)F)C

InChI

InChI=1S/C24H26FNO5S/c1-3-30-24(27)23-16(2)20-15-19(11-12-22(20)31-23)32(28,29)26-13-6-4-5-10-21(26)17-8-7-9-18(25)14-17/h7-9,11-12,14-15,21H,3-6,10,13H2,1-2H3