diphenyl 4-[3-(phenylmethyl)piperazin-1-yl]benzene-1,3-disulfonate

Systemtic Name: diphenyl 4-[3-(phenylmethyl)piperazin-1-yl]benzene-1,3-disulfonate Openeye Name: diphenyl 4-(3-benzylpiperazin-1-yl)benzene-1,3-disulfonate CAS Name: 4-[3-(phenylmethyl)-1-piperazinyl]benzene-1,3-disulfonic acid diphenyl ester IUPAC Name: diphenyl 4-(3-benzylpiperazin-1-yl)benzene-1,3-disulfonate Traditional Name: 4-(3-benzylpiperazino)benzene-1,3-disulfonic acid diphenyl ester Formula: C29H28N2O6S2 MolecularWeight: 564.67242

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC(N1)CC2=CC=CC=C2)C3=C(C=C(C=C3)S(=O)(=O)OC4=CC=CC=C4)S(=O)(=O)OC5=CC=CC=C5

Isomeric SMILES

C1CN(CC(N1)CC2=CC=CC=C2)C3=C(C=C(C=C3)S(=O)(=O)OC4=CC=CC=C4)S(=O)(=O)OC5=CC=CC=C5

InChI

InChI=1S/C29H28N2O6S2/c32-38(33,36-25-12-6-2-7-13-25)27-16-17-28(29(21-27)39(34,35)37-26-14-8-3-9-15-26)31-19-18-30-24(22-31)20-23-10-4-1-5-11-23/h1-17,21,24,30H,18-20,22H2