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

Systemtic Name: methyl 5-[[3-(azepan-1-ylsulfonyl)-4-chloranyl-phenyl]carbonyloxymethyl]-2-methyl-furan-3-carboxylate Openeye Name: methyl 5-[[3-(azepan-1-ylsulfonyl)-4-chloro-benzoyl]oxymethyl]-2-methyl-furan-3-carboxylate CAS Name: 5-[[[3-(1-azepanylsulfonyl)-4-chlorophenyl]-oxomethoxy]methyl]-2-methyl-3-furancarboxylic acid methyl ester IUPAC Name: methyl 5-[[3-(azepan-1-ylsulfonyl)-4-chlorobenzoyl]oxymethyl]-2-methylfuran-3-carboxylate Traditional Name: 5-[[3-(azepan-1-ylsulfonyl)-4-chloro-benzoyl]oxymethyl]-2-methyl-furan-3-carboxylic acid methyl ester Formula: C21H24ClNO7S MolecularWeight: 469.93576

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(O1)COC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCCCCC3)C(=O)OC

Isomeric SMILES

CC1=C(C=C(O1)COC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCCCCC3)C(=O)OC

InChI

InChI=1S/C21H24ClNO7S/c1-14-17(21(25)28-2)12-16(30-14)13-29-20(24)15-7-8-18(22)19(11-15)31(26,27)23-9-5-3-4-6-10-23/h7-8,11-12H,3-6,9-10,13H2,1-2H3