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

Systemtic Name: phenyl 2-[3-(2-hydroxyphenyl)piperazin-1-yl]-5-(phenylmethyl)benzenesulfonate Openeye Name: phenyl 5-benzyl-2-[3-(2-hydroxyphenyl)piperazin-1-yl]benzenesulfonate CAS Name: 2-[3-(2-hydroxyphenyl)-1-piperazinyl]-5-(phenylmethyl)benzenesulfonic acid phenyl ester IUPAC Name: phenyl 5-benzyl-2-[3-(2-hydroxyphenyl)piperazin-1-yl]benzenesulfonate Traditional Name: 5-benzyl-2-[3-(2-hydroxyphenyl)piperazino]benzenesulfonic acid phenyl ester Formula: C29H28N2O4S MolecularWeight: 500.60862

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC(N1)C2=CC=CC=C2O)C3=C(C=C(C=C3)CC4=CC=CC=C4)S(=O)(=O)OC5=CC=CC=C5

Isomeric SMILES

C1CN(CC(N1)C2=CC=CC=C2O)C3=C(C=C(C=C3)CC4=CC=CC=C4)S(=O)(=O)OC5=CC=CC=C5

InChI

InChI=1S/C29H28N2O4S/c32-28-14-8-7-13-25(28)26-21-31(18-17-30-26)27-16-15-23(19-22-9-3-1-4-10-22)20-29(27)36(33,34)35-24-11-5-2-6-12-24/h1-16,20,26,30,32H,17-19,21H2