phenyl 2-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]ethanesulfonate

Systemtic Name: phenyl 2-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]ethanesulfonate Openeye Name: phenyl 2-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]ethanesulfonate CAS Name: 2-[4-[(3,4-dimethoxyphenyl)methyl]-1-piperazinyl]ethanesulfonic acid phenyl ester IUPAC Name: phenyl 2-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]ethanesulfonate Traditional Name: 2-(4-veratrylpiperazino)ethanesulfonic acid phenyl ester Formula: C21H28N2O5S MolecularWeight: 420.52242

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CN2CCN(CC2)CCS(=O)(=O)OC3=CC=CC=C3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CN2CCN(CC2)CCS(=O)(=O)OC3=CC=CC=C3)OC

InChI

InChI=1S/C21H28N2O5S/c1-26-20-9-8-18(16-21(20)27-2)17-23-12-10-22(11-13-23)14-15-29(24,25)28-19-6-4-3-5-7-19/h3-9,16H,10-15,17H2,1-2H3