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

Systemtic Name: phenyl 2-[4-(4-ethanoylphenyl)piperazin-1-yl]ethanesulfonate Openeye Name: phenyl 2-[4-(4-acetylphenyl)piperazin-1-yl]ethanesulfonate CAS Name: 2-[4-(4-acetylphenyl)-1-piperazinyl]ethanesulfonic acid phenyl ester IUPAC Name: phenyl 2-[4-(4-acetylphenyl)piperazin-1-yl]ethanesulfonate Traditional Name: 2-[4-(4-acetylphenyl)piperazino]ethanesulfonic acid phenyl ester Formula: C20H24N2O4S MolecularWeight: 388.48056

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24N2O4S/c1-17(23)18-7-9-19(10-8-18)22-13-11-21(12-14-22)15-16-27(24,25)26-20-5-3-2-4-6-20/h2-10H,11-16H2,1H3