phenyl 4-[2-(2-hydroxyphenyl)-4-methoxy-phenyl]piperazine-2-sulfonate

Systemtic Name: phenyl 4-[2-(2-hydroxyphenyl)-4-methoxy-phenyl]piperazine-2-sulfonate Openeye Name: phenyl 4-[2-(2-hydroxyphenyl)-4-methoxy-phenyl]piperazine-2-sulfonate CAS Name: 4-[2-(2-hydroxyphenyl)-4-methoxyphenyl]-2-piperazinesulfonic acid phenyl ester IUPAC Name: phenyl 4-[2-(2-hydroxyphenyl)-4-methoxyphenyl]piperazine-2-sulfonate Traditional Name: 4-[2-(2-hydroxyphenyl)-4-methoxy-phenyl]piperazine-2-sulfonic acid phenyl ester Formula: C23H24N2O5S MolecularWeight: 440.51206

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)N2CCNC(C2)S(=O)(=O)OC3=CC=CC=C3)C4=CC=CC=C4O

Isomeric SMILES

COC1=CC(=C(C=C1)N2CCNC(C2)S(=O)(=O)OC3=CC=CC=C3)C4=CC=CC=C4O

InChI

InChI=1S/C23H24N2O5S/c1-29-18-11-12-21(20(15-18)19-9-5-6-10-22(19)26)25-14-13-24-23(16-25)31(27,28)30-17-7-3-2-4-8-17/h2-12,15,23-24,26H,13-14,16H2,1H3