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

Systemtic Name: phenyl 4-[3-(2-hydroxyphenyl)piperazin-1-yl]-3-phenyl-benzenesulfonate Openeye Name: phenyl 4-[3-(2-hydroxyphenyl)piperazin-1-yl]-3-phenyl-benzenesulfonate CAS Name: 4-[3-(2-hydroxyphenyl)-1-piperazinyl]-3-phenylbenzenesulfonic acid phenyl ester IUPAC Name: phenyl 4-[3-(2-hydroxyphenyl)piperazin-1-yl]-3-phenylbenzenesulfonate Traditional Name: 4-[3-(2-hydroxyphenyl)piperazino]-3-phenyl-benzenesulfonic acid phenyl ester Formula: C28H26N2O4S MolecularWeight: 486.58204

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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)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)C5=CC=CC=C5

InChI

InChI=1S/C28H26N2O4S/c31-28-14-8-7-13-24(28)26-20-30(18-17-29-26)27-16-15-23(19-25(27)21-9-3-1-4-10-21)35(32,33)34-22-11-5-2-6-12-22/h1-16,19,26,29,31H,17-18,20H2