methyl 3-[[4-(azepan-1-ylsulfonyl)phenyl]carbonyloxymethyl]benzoate

Systemtic Name: methyl 3-[[4-(azepan-1-ylsulfonyl)phenyl]carbonyloxymethyl]benzoate Openeye Name: methyl 3-[[4-(azepan-1-ylsulfonyl)benzoyl]oxymethyl]benzoate CAS Name: 3-[[[4-(1-azepanylsulfonyl)phenyl]-oxomethoxy]methyl]benzoic acid methyl ester IUPAC Name: methyl 3-[[4-(azepan-1-ylsulfonyl)benzoyl]oxymethyl]benzoate Traditional Name: 3-[[4-(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=C(C=C2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

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

InChI

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