(2,3-dimethoxyphenyl)methyl 3-piperidin-1-ylsulfonylbenzoate

Systemtic Name: (2,3-dimethoxyphenyl)methyl 3-piperidin-1-ylsulfonylbenzoate Openeye Name: (2,3-dimethoxyphenyl)methyl 3-(1-piperidylsulfonyl)benzoate CAS Name: 3-(1-piperidinylsulfonyl)benzoic acid (2,3-dimethoxyphenyl)methyl ester IUPAC Name: (2,3-dimethoxyphenyl)methyl 3-piperidin-1-ylsulfonylbenzoate Traditional Name: 3-piperidinosulfonylbenzoic acid o-veratryl ester Formula: C21H25NO6S MolecularWeight: 419.4913

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1OC)COC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCCC3

Isomeric SMILES

COC1=CC=CC(=C1OC)COC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C21H25NO6S/c1-26-19-11-7-9-17(20(19)27-2)15-28-21(23)16-8-6-10-18(14-16)29(24,25)22-12-4-3-5-13-22/h6-11,14H,3-5,12-13,15H2,1-2H3