(3,5-dimethoxyphenyl) 4-(azepan-1-ylsulfonyl)benzoate

Systemtic Name: (3,5-dimethoxyphenyl) 4-(azepan-1-ylsulfonyl)benzoate Openeye Name: (3,5-dimethoxyphenyl) 4-(azepan-1-ylsulfonyl)benzoate CAS Name: 4-(1-azepanylsulfonyl)benzoic acid (3,5-dimethoxyphenyl) ester IUPAC Name: (3,5-dimethoxyphenyl) 4-(azepan-1-ylsulfonyl)benzoate Traditional Name: 4-(azepan-1-ylsulfonyl)benzoic acid (3,5-dimethoxyphenyl) ester Formula: C21H25NO6S MolecularWeight: 419.4913

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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