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

Systemtic Name: phenyl 2-[3-(2-hydroxyphenyl)piperazin-1-yl]-5-iodanyl-benzenesulfonate Openeye Name: phenyl 2-[3-(2-hydroxyphenyl)piperazin-1-yl]-5-iodo-benzenesulfonate CAS Name: 2-[3-(2-hydroxyphenyl)-1-piperazinyl]-5-iodobenzenesulfonic acid phenyl ester IUPAC Name: phenyl 2-[3-(2-hydroxyphenyl)piperazin-1-yl]-5-iodobenzenesulfonate Traditional Name: 2-[3-(2-hydroxyphenyl)piperazino]-5-iodo-benzenesulfonic acid phenyl ester Formula: C22H21IN2O4S MolecularWeight: 536.38261

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H21IN2O4S/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