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

Systemtic Name: methyl 5-[[3-(azepan-1-ylsulfonyl)-4-chloranyl-phenyl]carbonyloxymethyl]furan-2-carboxylate Openeye Name: methyl 5-[[3-(azepan-1-ylsulfonyl)-4-chloro-benzoyl]oxymethyl]furan-2-carboxylate CAS Name: 5-[[[3-(1-azepanylsulfonyl)-4-chlorophenyl]-oxomethoxy]methyl]-2-furancarboxylic acid methyl ester IUPAC Name: methyl 5-[[3-(azepan-1-ylsulfonyl)-4-chlorobenzoyl]oxymethyl]furan-2-carboxylate Traditional Name: 5-[[3-(azepan-1-ylsulfonyl)-4-chloro-benzoyl]oxymethyl]furan-2-carboxylic acid methyl ester Formula: C20H22ClNO7S MolecularWeight: 455.90918

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22ClNO7S/c1-27-20(24)17-9-7-15(29-17)13-28-19(23)14-6-8-16(21)18(12-14)30(25,26)22-10-4-2-3-5-11-22/h6-9,12H,2-5,10-11,13H2,1H3