(3,4-dimethoxyphenyl)methyl 4-piperidin-1-ylsulfonylbenzoate

Systemtic Name: (3,4-dimethoxyphenyl)methyl 4-piperidin-1-ylsulfonylbenzoate Openeye Name: (3,4-dimethoxyphenyl)methyl 4-(1-piperidylsulfonyl)benzoate CAS Name: 4-(1-piperidinylsulfonyl)benzoic acid (3,4-dimethoxyphenyl)methyl ester IUPAC Name: (3,4-dimethoxyphenyl)methyl 4-piperidin-1-ylsulfonylbenzoate Traditional Name: 4-piperidinosulfonylbenzoic acid veratryl ester Formula: C21H25NO6S MolecularWeight: 419.4913

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)COC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCCC3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)COC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCCC3)OC

InChI

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