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

Systemtic Name: phenyl 3-(2-hydroxyphenyl)-4-[3-(2-hydroxyphenyl)piperazin-1-yl]benzenesulfonate Openeye Name: phenyl 3-(2-hydroxyphenyl)-4-[3-(2-hydroxyphenyl)piperazin-1-yl]benzenesulfonate CAS Name: 3-(2-hydroxyphenyl)-4-[3-(2-hydroxyphenyl)-1-piperazinyl]benzenesulfonic acid phenyl ester IUPAC Name: phenyl 3-(2-hydroxyphenyl)-4-[3-(2-hydroxyphenyl)piperazin-1-yl]benzenesulfonate Traditional Name: 3-(2-hydroxyphenyl)-4-[3-(2-hydroxyphenyl)piperazino]benzenesulfonic acid phenyl ester Formula: C28H26N2O5S MolecularWeight: 502.58144

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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=C5O

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=C5O

InChI

InChI=1S/C28H26N2O5S/c31-27-12-6-4-10-22(27)24-18-21(36(33,34)35-20-8-2-1-3-9-20)14-15-26(24)30-17-16-29-25(19-30)23-11-5-7-13-28(23)32/h1-15,18,25,29,31-32H,16-17,19H2