methyl 5-[[3-(azepan-1-ylsulfonyl)-4-methoxy-phenyl]carbonyloxymethyl]furan-2-carboxylate

Systemtic Name: methyl 5-[[3-(azepan-1-ylsulfonyl)-4-methoxy-phenyl]carbonyloxymethyl]furan-2-carboxylate Openeye Name: methyl 5-[[3-(azepan-1-ylsulfonyl)-4-methoxy-benzoyl]oxymethyl]furan-2-carboxylate CAS Name: 5-[[[3-(1-azepanylsulfonyl)-4-methoxyphenyl]-oxomethoxy]methyl]-2-furancarboxylic acid methyl ester IUPAC Name: methyl 5-[[3-(azepan-1-ylsulfonyl)-4-methoxybenzoyl]oxymethyl]furan-2-carboxylate Traditional Name: 5-[[3-(azepan-1-ylsulfonyl)-4-methoxy-benzoyl]oxymethyl]furan-2-carboxylic acid methyl ester Formula: C21H25NO8S MolecularWeight: 451.4901

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)OCC2=CC=C(O2)C(=O)OC)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)OCC2=CC=C(O2)C(=O)OC)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C21H25NO8S/c1-27-17-9-7-15(13-19(17)31(25,26)22-11-5-3-4-6-12-22)20(23)29-14-16-8-10-18(30-16)21(24)28-2/h7-10,13H,3-6,11-12,14H2,1-2H3