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

Systemtic Name: methyl 5-[[3-(azepan-1-ylsulfonyl)-4-methoxy-phenyl]carbonyloxymethyl]-3-methyl-furan-2-carboxylate Openeye Name: methyl 5-[[3-(azepan-1-ylsulfonyl)-4-methoxy-benzoyl]oxymethyl]-3-methyl-furan-2-carboxylate CAS Name: 5-[[[3-(1-azepanylsulfonyl)-4-methoxyphenyl]-oxomethoxy]methyl]-3-methyl-2-furancarboxylic acid methyl ester IUPAC Name: methyl 5-[[3-(azepan-1-ylsulfonyl)-4-methoxybenzoyl]oxymethyl]-3-methylfuran-2-carboxylate Traditional Name: 5-[[3-(azepan-1-ylsulfonyl)-4-methoxy-benzoyl]oxymethyl]-3-methyl-furan-2-carboxylic acid methyl ester Formula: C22H27NO8S MolecularWeight: 465.51668

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC(=C1)COC(=O)C2=CC(=C(C=C2)OC)S(=O)(=O)N3CCCCCC3)C(=O)OC

Isomeric SMILES

CC1=C(OC(=C1)COC(=O)C2=CC(=C(C=C2)OC)S(=O)(=O)N3CCCCCC3)C(=O)OC

InChI

InChI=1S/C22H27NO8S/c1-15-12-17(31-20(15)22(25)29-3)14-30-21(24)16-8-9-18(28-2)19(13-16)32(26,27)23-10-6-4-5-7-11-23/h8-9,12-13H,4-7,10-11,14H2,1-3H3