phenyl 2-(3-fluoranylpiperazin-1-yl)-5-iodanyl-benzenesulfonate

Systemtic Name: phenyl 2-(3-fluoranylpiperazin-1-yl)-5-iodanyl-benzenesulfonate Openeye Name: phenyl 2-(3-fluoropiperazin-1-yl)-5-iodo-benzenesulfonate CAS Name: 2-(3-fluoro-1-piperazinyl)-5-iodobenzenesulfonic acid phenyl ester IUPAC Name: phenyl 2-(3-fluoropiperazin-1-yl)-5-iodobenzenesulfonate Traditional Name: 2-(3-fluoropiperazino)-5-iodo-benzenesulfonic acid phenyl ester Formula: C16H16FIN2O3S MolecularWeight: 462.277713

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC(N1)F)C2=C(C=C(C=C2)I)S(=O)(=O)OC3=CC=CC=C3

Isomeric SMILES

C1CN(CC(N1)F)C2=C(C=C(C=C2)I)S(=O)(=O)OC3=CC=CC=C3

InChI

InChI=1S/C16H16FIN2O3S/c17-16-11-20(9-8-19-16)14-7-6-12(18)10-15(14)24(21,22)23-13-4-2-1-3-5-13/h1-7,10,16,19H,8-9,11H2