(phenylmethyl) 1-(3,4-dimethoxyphenyl)sulfonylpiperidine-4-carboxylate

Systemtic Name: (phenylmethyl) 1-(3,4-dimethoxyphenyl)sulfonylpiperidine-4-carboxylate Openeye Name: benzyl 1-(3,4-dimethoxyphenyl)sulfonylpiperidine-4-carboxylate CAS Name: 1-(3,4-dimethoxyphenyl)sulfonyl-4-piperidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 1-(3,4-dimethoxyphenyl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-(3,4-dimethoxyphenyl)sulfonylisonipecotic acid benzyl ester Formula: C21H25NO6S MolecularWeight: 419.4913

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)OCC3=CC=CC=C3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)OCC3=CC=CC=C3)OC

InChI

InChI=1S/C21H25NO6S/c1-26-19-9-8-18(14-20(19)27-2)29(24,25)22-12-10-17(11-13-22)21(23)28-15-16-6-4-3-5-7-16/h3-9,14,17H,10-13,15H2,1-2H3