methyl 5-[[4-(azepan-1-ylsulfonyl)phenyl]carbonyloxymethyl]furan-2-carboxylate

Systemtic Name: methyl 5-[[4-(azepan-1-ylsulfonyl)phenyl]carbonyloxymethyl]furan-2-carboxylate Openeye Name: methyl 5-[[4-(azepan-1-ylsulfonyl)benzoyl]oxymethyl]furan-2-carboxylate CAS Name: 5-[[[4-(1-azepanylsulfonyl)phenyl]-oxomethoxy]methyl]-2-furancarboxylic acid methyl ester IUPAC Name: methyl 5-[[4-(azepan-1-ylsulfonyl)benzoyl]oxymethyl]furan-2-carboxylate Traditional Name: 5-[[4-(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=C(C=C2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

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

InChI

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