methyl 5-[[3-(azepan-1-ylsulfonyl)phenyl]carbonyloxymethyl]furan-2-carboxylate

Systemtic Name: methyl 5-[[3-(azepan-1-ylsulfonyl)phenyl]carbonyloxymethyl]furan-2-carboxylate Openeye Name: methyl 5-[[3-(azepan-1-ylsulfonyl)benzoyl]oxymethyl]furan-2-carboxylate CAS Name: 5-[[[3-(1-azepanylsulfonyl)phenyl]-oxomethoxy]methyl]-2-furancarboxylic acid methyl ester IUPAC Name: methyl 5-[[3-(azepan-1-ylsulfonyl)benzoyl]oxymethyl]furan-2-carboxylate Traditional Name: 5-[[3-(azepan-1-ylsulfonyl)benzoyl]oxymethyl]furan-2-carboxylic acid methyl ester Formula: C20H23NO7S MolecularWeight: 421.46412

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(O1)COC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

COC(=O)C1=CC=C(O1)COC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C20H23NO7S/c1-26-20(23)18-10-9-16(28-18)14-27-19(22)15-7-6-8-17(13-15)29(24,25)21-11-4-2-3-5-12-21/h6-10,13H,2-5,11-12,14H2,1H3