methyl 3-[[3-(azepan-1-ylsulfonyl)phenyl]carbonyloxymethyl]benzoate

Systemtic Name: methyl 3-[[3-(azepan-1-ylsulfonyl)phenyl]carbonyloxymethyl]benzoate Openeye Name: methyl 3-[[3-(azepan-1-ylsulfonyl)benzoyl]oxymethyl]benzoate CAS Name: 3-[[[3-(1-azepanylsulfonyl)phenyl]-oxomethoxy]methyl]benzoic acid methyl ester IUPAC Name: methyl 3-[[3-(azepan-1-ylsulfonyl)benzoyl]oxymethyl]benzoate Traditional Name: 3-[[3-(azepan-1-ylsulfonyl)benzoyl]oxymethyl]benzoic acid methyl ester Formula: C22H25NO6S MolecularWeight: 431.502

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25NO6S/c1-28-21(24)18-9-6-8-17(14-18)16-29-22(25)19-10-7-11-20(15-19)30(26,27)23-12-4-2-3-5-13-23/h6-11,14-15H,2-5,12-13,16H2,1H3