phenyl 4-[2,4-bis(2-hydroxyphenyl)phenyl]piperazine-2-sulfonate

Systemtic Name: phenyl 4-[2,4-bis(2-hydroxyphenyl)phenyl]piperazine-2-sulfonate Openeye Name: phenyl 4-[2,4-bis(2-hydroxyphenyl)phenyl]piperazine-2-sulfonate CAS Name: 4-[2,4-bis(2-hydroxyphenyl)phenyl]-2-piperazinesulfonic acid phenyl ester IUPAC Name: phenyl 4-[2,4-bis(2-hydroxyphenyl)phenyl]piperazine-2-sulfonate Traditional Name: 4-[2,4-bis(2-hydroxyphenyl)phenyl]piperazine-2-sulfonic acid phenyl ester Formula: C28H26N2O5S MolecularWeight: 502.58144

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC(N1)S(=O)(=O)OC2=CC=CC=C2)C3=C(C=C(C=C3)C4=CC=CC=C4O)C5=CC=CC=C5O

Isomeric SMILES

C1CN(CC(N1)S(=O)(=O)OC2=CC=CC=C2)C3=C(C=C(C=C3)C4=CC=CC=C4O)C5=CC=CC=C5O

InChI

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