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

Systemtic Name: phenyl 5-fluoranyl-2-[3-(2-hydroxyphenyl)piperazin-1-yl]benzenesulfonate Openeye Name: phenyl 5-fluoro-2-[3-(2-hydroxyphenyl)piperazin-1-yl]benzenesulfonate CAS Name: 5-fluoro-2-[3-(2-hydroxyphenyl)-1-piperazinyl]benzenesulfonic acid phenyl ester IUPAC Name: phenyl 5-fluoro-2-[3-(2-hydroxyphenyl)piperazin-1-yl]benzenesulfonate Traditional Name: 5-fluoro-2-[3-(2-hydroxyphenyl)piperazino]benzenesulfonic acid phenyl ester Formula: C22H21FN2O4S MolecularWeight: 428.476543

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC(N1)C2=CC=CC=C2O)C3=C(C=C(C=C3)F)S(=O)(=O)OC4=CC=CC=C4

Isomeric SMILES

C1CN(CC(N1)C2=CC=CC=C2O)C3=C(C=C(C=C3)F)S(=O)(=O)OC4=CC=CC=C4

InChI

InChI=1S/C22H21FN2O4S/c23-16-10-11-20(22(14-16)30(27,28)29-17-6-2-1-3-7-17)25-13-12-24-19(15-25)18-8-4-5-9-21(18)26/h1-11,14,19,24,26H,12-13,15H2