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

Systemtic Name: methyl 3-[4-(azepan-1-ylsulfonyl)phenyl]carbonyloxybenzoate Openeye Name: methyl 3-[4-(azepan-1-ylsulfonyl)benzoyl]oxybenzoate CAS Name: 3-[[4-(1-azepanylsulfonyl)phenyl]-oxomethoxy]benzoic acid methyl ester IUPAC Name: methyl 3-[4-(azepan-1-ylsulfonyl)benzoyl]oxybenzoate Traditional Name: 3-[4-(azepan-1-ylsulfonyl)benzoyl]oxybenzoic acid methyl ester Formula: C21H23NO6S MolecularWeight: 417.47542

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23NO6S/c1-27-20(23)17-7-6-8-18(15-17)28-21(24)16-9-11-19(12-10-16)29(25,26)22-13-4-2-3-5-14-22/h6-12,15H,2-5,13-14H2,1H3