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

Systemtic Name: phenyl 2-[4-(3-methylphenyl)piperazin-1-yl]ethanesulfonate Openeye Name: phenyl 2-[4-(m-tolyl)piperazin-1-yl]ethanesulfonate CAS Name: 2-[4-(3-methylphenyl)-1-piperazinyl]ethanesulfonic acid phenyl ester IUPAC Name: phenyl 2-[4-(3-methylphenyl)piperazin-1-yl]ethanesulfonate Traditional Name: 2-[4-(m-tolyl)piperazino]ethanesulfonic acid phenyl ester Formula: C19H24N2O3S MolecularWeight: 360.47046

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2CCN(CC2)CCS(=O)(=O)OC3=CC=CC=C3

Isomeric SMILES

CC1=CC(=CC=C1)N2CCN(CC2)CCS(=O)(=O)OC3=CC=CC=C3

InChI

InChI=1S/C19H24N2O3S/c1-17-6-5-7-18(16-17)21-12-10-20(11-13-21)14-15-25(22,23)24-19-8-3-2-4-9-19/h2-9,16H,10-15H2,1H3