phenyl 5-fluoranyl-2-[3-(phenylmethyl)piperazin-1-yl]benzenesulfonate

Systemtic Name: phenyl 5-fluoranyl-2-[3-(phenylmethyl)piperazin-1-yl]benzenesulfonate Openeye Name: phenyl 2-(3-benzylpiperazin-1-yl)-5-fluoro-benzenesulfonate CAS Name: 5-fluoro-2-[3-(phenylmethyl)-1-piperazinyl]benzenesulfonic acid phenyl ester IUPAC Name: phenyl 2-(3-benzylpiperazin-1-yl)-5-fluorobenzenesulfonate Traditional Name: 2-(3-benzylpiperazino)-5-fluoro-benzenesulfonic acid phenyl ester Formula: C23H23FN2O3S MolecularWeight: 426.503723

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC(N1)CC2=CC=CC=C2)C3=C(C=C(C=C3)F)S(=O)(=O)OC4=CC=CC=C4

Isomeric SMILES

C1CN(CC(N1)CC2=CC=CC=C2)C3=C(C=C(C=C3)F)S(=O)(=O)OC4=CC=CC=C4

InChI

InChI=1S/C23H23FN2O3S/c24-19-11-12-22(23(16-19)30(27,28)29-21-9-5-2-6-10-21)26-14-13-25-20(17-26)15-18-7-3-1-4-8-18/h1-12,16,20,25H,13-15,17H2