(2,6-dimethoxyphenyl) 3-(azepan-1-ylsulfonyl)benzoate

Systemtic Name: (2,6-dimethoxyphenyl) 3-(azepan-1-ylsulfonyl)benzoate Openeye Name: (2,6-dimethoxyphenyl) 3-(azepan-1-ylsulfonyl)benzoate CAS Name: 3-(1-azepanylsulfonyl)benzoic acid (2,6-dimethoxyphenyl) ester IUPAC Name: (2,6-dimethoxyphenyl) 3-(azepan-1-ylsulfonyl)benzoate Traditional Name: 3-(azepan-1-ylsulfonyl)benzoic acid (2,6-dimethoxyphenyl) ester Formula: C21H25NO6S MolecularWeight: 419.4913

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC=C1)OC)OC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

COC1=C(C(=CC=C1)OC)OC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C21H25NO6S/c1-26-18-11-8-12-19(27-2)20(18)28-21(23)16-9-7-10-17(15-16)29(24,25)22-13-5-3-4-6-14-22/h7-12,15H,3-6,13-14H2,1-2H3