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

Systemtic Name: phenyl 5-fluoranyl-2-[3-(phenylsulfonyl)piperazin-1-yl]benzenesulfonate Openeye Name: phenyl 2-[3-(benzenesulfonyl)piperazin-1-yl]-5-fluoro-benzenesulfonate CAS Name: 2-[3-(benzenesulfonyl)-1-piperazinyl]-5-fluorobenzenesulfonic acid phenyl ester IUPAC Name: phenyl 2-[3-(benzenesulfonyl)piperazin-1-yl]-5-fluorobenzenesulfonate Traditional Name: 2-(3-besylpiperazino)-5-fluoro-benzenesulfonic acid phenyl ester Formula: C22H21FN2O5S2 MolecularWeight: 476.540943

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H21FN2O5S2/c23-17-11-12-20(21(15-17)32(28,29)30-18-7-3-1-4-8-18)25-14-13-24-22(16-25)31(26,27)19-9-5-2-6-10-19/h1-12,15,22,24H,13-14,16H2