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

Systemtic Name: phenyl 5-(2-hydroxyphenyl)-2-[3-(phenylsulfonyl)piperazin-1-yl]benzenesulfonate Openeye Name: phenyl 2-[3-(benzenesulfonyl)piperazin-1-yl]-5-(2-hydroxyphenyl)benzenesulfonate CAS Name: 2-[3-(benzenesulfonyl)-1-piperazinyl]-5-(2-hydroxyphenyl)benzenesulfonic acid phenyl ester IUPAC Name: phenyl 2-[3-(benzenesulfonyl)piperazin-1-yl]-5-(2-hydroxyphenyl)benzenesulfonate Traditional Name: 2-(3-besylpiperazino)-5-(2-hydroxyphenyl)benzenesulfonic acid phenyl ester Formula: C28H26N2O6S2 MolecularWeight: 550.64584

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC(N1)S(=O)(=O)C2=CC=CC=C2)C3=C(C=C(C=C3)C4=CC=CC=C4O)S(=O)(=O)OC5=CC=CC=C5

Isomeric SMILES

C1CN(CC(N1)S(=O)(=O)C2=CC=CC=C2)C3=C(C=C(C=C3)C4=CC=CC=C4O)S(=O)(=O)OC5=CC=CC=C5

InChI

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