ethyl 3-methyl-5-[2-(4-methylphenyl)azepan-1-yl]sulfonyl-1-benzofuran-2-carboxylate

Systemtic Name: ethyl 3-methyl-5-[2-(4-methylphenyl)azepan-1-yl]sulfonyl-1-benzofuran-2-carboxylate Openeye Name: ethyl 3-methyl-5-[2-(p-tolyl)azepan-1-yl]sulfonyl-benzofuran-2-carboxylate CAS Name: 3-methyl-5-[[2-(4-methylphenyl)-1-azepanyl]sulfonyl]-2-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 3-methyl-5-[2-(4-methylphenyl)azepan-1-yl]sulfonyl-1-benzofuran-2-carboxylate Traditional Name: 3-methyl-5-[2-(p-tolyl)azepan-1-yl]sulfonyl-coumarilic acid ethyl ester Formula: C25H29NO5S MolecularWeight: 455.56646

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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=C(C=C4)C)C

Isomeric SMILES

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

InChI

InChI=1S/C25H29NO5S/c1-4-30-25(27)24-18(3)21-16-20(13-14-23(21)31-24)32(28,29)26-15-7-5-6-8-22(26)19-11-9-17(2)10-12-19/h9-14,16,22H,4-8,15H2,1-3H3