(2,3-dimethoxyphenyl)methyl 5-(azepan-1-ylsulfonyl)-2-methoxy-benzoate

Systemtic Name: (2,3-dimethoxyphenyl)methyl 5-(azepan-1-ylsulfonyl)-2-methoxy-benzoate Openeye Name: (2,3-dimethoxyphenyl)methyl 5-(azepan-1-ylsulfonyl)-2-methoxy-benzoate CAS Name: 5-(1-azepanylsulfonyl)-2-methoxybenzoic acid (2,3-dimethoxyphenyl)methyl ester IUPAC Name: (2,3-dimethoxyphenyl)methyl 5-(azepan-1-ylsulfonyl)-2-methoxybenzoate Traditional Name: 5-(azepan-1-ylsulfonyl)-2-methoxy-benzoic acid o-veratryl ester Formula: C23H29NO7S MolecularWeight: 463.54386

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)C(=O)OCC3=C(C(=CC=C3)OC)OC

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)C(=O)OCC3=C(C(=CC=C3)OC)OC

InChI

InChI=1S/C23H29NO7S/c1-28-20-12-11-18(32(26,27)24-13-6-4-5-7-14-24)15-19(20)23(25)31-16-17-9-8-10-21(29-2)22(17)30-3/h8-12,15H,4-7,13-14,16H2,1-3H3