1-[4-(diphenylmethyl)-3-(hydroxymethyl)piperazin-1-yl]-2-(diphenylmethyl)sulfinyl-ethanone

Systemtic Name: 1-[4-(diphenylmethyl)-3-(hydroxymethyl)piperazin-1-yl]-2-(diphenylmethyl)sulfinyl-ethanone Openeye Name: 1-[4-benzhydryl-3-(hydroxymethyl)piperazin-1-yl]-2-benzhydrylsulfinyl-ethanone CAS Name: 1-[4-(diphenylmethyl)-3-(hydroxymethyl)-1-piperazinyl]-2-(diphenylmethyl)sulfinylethanone IUPAC Name: 1-[4-benzhydryl-3-(hydroxymethyl)piperazin-1-yl]-2-benzhydrylsulfinylethanone Traditional Name: 1-(4-benzhydryl-3-methylol-piperazino)-2-benzhydrylsulfinyl-ethanone Formula: C33H34N2O3S MolecularWeight: 538.69966

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(CN1C(=O)CS(=O)C(C2=CC=CC=C2)C3=CC=CC=C3)CO)C(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1CN(C(CN1C(=O)CS(=O)C(C2=CC=CC=C2)C3=CC=CC=C3)CO)C(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C33H34N2O3S/c36-24-30-23-34(21-22-35(30)32(26-13-5-1-6-14-26)27-15-7-2-8-16-27)31(37)25-39(38)33(28-17-9-3-10-18-28)29-19-11-4-12-20-29/h1-20,30,32-33,36H,21-25H2