(2,5-dimethoxyphenyl)methyl 4-(azepan-1-ylsulfonyl)benzoate

Systemtic Name: (2,5-dimethoxyphenyl)methyl 4-(azepan-1-ylsulfonyl)benzoate Openeye Name: (2,5-dimethoxyphenyl)methyl 4-(azepan-1-ylsulfonyl)benzoate CAS Name: 4-(1-azepanylsulfonyl)benzoic acid (2,5-dimethoxyphenyl)methyl ester IUPAC Name: (2,5-dimethoxyphenyl)methyl 4-(azepan-1-ylsulfonyl)benzoate Traditional Name: 4-(azepan-1-ylsulfonyl)benzoic acid (2,5-dimethoxybenzyl) ester Formula: C22H27NO6S MolecularWeight: 433.51788

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27NO6S/c1-27-19-9-12-21(28-2)18(15-19)16-29-22(24)17-7-10-20(11-8-17)30(25,26)23-13-5-3-4-6-14-23/h7-12,15H,3-6,13-14,16H2,1-2H3