phenyl 4-[3-(2-hydroxyphenyl)piperazin-1-yl]-3-(phenylsulfonyl)benzenesulfonate

Systemtic Name: phenyl 4-[3-(2-hydroxyphenyl)piperazin-1-yl]-3-(phenylsulfonyl)benzenesulfonate Openeye Name: phenyl 3-(benzenesulfonyl)-4-[3-(2-hydroxyphenyl)piperazin-1-yl]benzenesulfonate CAS Name: 3-(benzenesulfonyl)-4-[3-(2-hydroxyphenyl)-1-piperazinyl]benzenesulfonic acid phenyl ester IUPAC Name: phenyl 3-(benzenesulfonyl)-4-[3-(2-hydroxyphenyl)piperazin-1-yl]benzenesulfonate Traditional Name: 3-besyl-4-[3-(2-hydroxyphenyl)piperazino]benzenesulfonic acid phenyl ester Formula: C28H26N2O6S2 MolecularWeight: 550.64584

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC(N1)C2=CC=CC=C2O)C3=C(C=C(C=C3)S(=O)(=O)OC4=CC=CC=C4)S(=O)(=O)C5=CC=CC=C5

Isomeric SMILES

C1CN(CC(N1)C2=CC=CC=C2O)C3=C(C=C(C=C3)S(=O)(=O)OC4=CC=CC=C4)S(=O)(=O)C5=CC=CC=C5

InChI

InChI=1S/C28H26N2O6S2/c31-27-14-8-7-13-24(27)25-20-30(18-17-29-25)26-16-15-23(38(34,35)36-21-9-3-1-4-10-21)19-28(26)37(32,33)22-11-5-2-6-12-22/h1-16,19,25,29,31H,17-18,20H2