phenyl 2-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]ethanesulfonate

Systemtic Name: phenyl 2-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]ethanesulfonate Openeye Name: phenyl 2-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]ethanesulfonate CAS Name: 2-[4-[(4-ethoxyphenyl)methyl]-1-piperazinyl]ethanesulfonic acid phenyl ester IUPAC Name: phenyl 2-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]ethanesulfonate Traditional Name: 2-[4-(4-ethoxybenzyl)piperazino]ethanesulfonic acid phenyl ester Formula: C21H28N2O4S MolecularWeight: 404.52302

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)CN2CCN(CC2)CCS(=O)(=O)OC3=CC=CC=C3

Isomeric SMILES

CCOC1=CC=C(C=C1)CN2CCN(CC2)CCS(=O)(=O)OC3=CC=CC=C3

InChI

InChI=1S/C21H28N2O4S/c1-2-26-20-10-8-19(9-11-20)18-23-14-12-22(13-15-23)16-17-28(24,25)27-21-6-4-3-5-7-21/h3-11H,2,12-18H2,1H3