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

Systemtic Name: phenyl 2-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]ethanesulfonate Openeye Name: phenyl 2-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]ethanesulfonate CAS Name: 2-[4-[(3-chlorophenyl)methyl]-1-piperazinyl]ethanesulfonic acid phenyl ester IUPAC Name: phenyl 2-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]ethanesulfonate Traditional Name: 2-[4-(3-chlorobenzyl)piperazino]ethanesulfonic acid phenyl ester Formula: C19H23ClN2O3S MolecularWeight: 394.91552

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCS(=O)(=O)OC2=CC=CC=C2)CC3=CC(=CC=C3)Cl

Isomeric SMILES

C1CN(CCN1CCS(=O)(=O)OC2=CC=CC=C2)CC3=CC(=CC=C3)Cl

InChI

InChI=1S/C19H23ClN2O3S/c20-18-6-4-5-17(15-18)16-22-11-9-21(10-12-22)13-14-26(23,24)25-19-7-2-1-3-8-19/h1-8,15H,9-14,16H2