phenyl 2-[4-[(2-chloranyl-6-fluoranyl-phenyl)methyl]piperazin-1-yl]ethanesulfonate

Systemtic Name: phenyl 2-[4-[(2-chloranyl-6-fluoranyl-phenyl)methyl]piperazin-1-yl]ethanesulfonate Openeye Name: phenyl 2-[4-[(2-chloro-6-fluoro-phenyl)methyl]piperazin-1-yl]ethanesulfonate CAS Name: 2-[4-[(2-chloro-6-fluorophenyl)methyl]-1-piperazinyl]ethanesulfonic acid phenyl ester IUPAC Name: phenyl 2-[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]ethanesulfonate Traditional Name: 2-[4-(2-chloro-6-fluoro-benzyl)piperazino]ethanesulfonic acid phenyl ester Formula: C19H22ClFN2O3S MolecularWeight: 412.905983

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCS(=O)(=O)OC2=CC=CC=C2)CC3=C(C=CC=C3Cl)F

Isomeric SMILES

C1CN(CCN1CCS(=O)(=O)OC2=CC=CC=C2)CC3=C(C=CC=C3Cl)F

InChI

InChI=1S/C19H22ClFN2O3S/c20-18-7-4-8-19(21)17(18)15-23-11-9-22(10-12-23)13-14-27(24,25)26-16-5-2-1-3-6-16/h1-8H,9-15H2