N-[[3-(phenylmethyl)-4-(4-pyrimidin-2-ylpiperazin-1-yl)phenyl]methyl]benzenesulfonamide

Systemtic Name: N-[[3-(phenylmethyl)-4-(4-pyrimidin-2-ylpiperazin-1-yl)phenyl]methyl]benzenesulfonamide Openeye Name: N-[[3-benzyl-4-(4-pyrimidin-2-ylpiperazin-1-yl)phenyl]methyl]benzenesulfonamide CAS Name: N-[[3-(phenylmethyl)-4-[4-(2-pyrimidinyl)-1-piperazinyl]phenyl]methyl]benzenesulfonamide IUPAC Name: N-[[3-benzyl-4-(4-pyrimidin-2-ylpiperazin-1-yl)phenyl]methyl]benzenesulfonamide Traditional Name: N-[3-benzyl-4-[4-(2-pyrimidyl)piperazino]benzyl]benzenesulfonamide Formula: C28H29N5O2S MolecularWeight: 499.62716

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C=C(C=C2)CNS(=O)(=O)C3=CC=CC=C3)CC4=CC=CC=C4)C5=NC=CC=N5

Isomeric SMILES

C1CN(CCN1C2=C(C=C(C=C2)CNS(=O)(=O)C3=CC=CC=C3)CC4=CC=CC=C4)C5=NC=CC=N5

InChI

InChI=1S/C28H29N5O2S/c34-36(35,26-10-5-2-6-11-26)31-22-24-12-13-27(25(21-24)20-23-8-3-1-4-9-23)32-16-18-33(19-17-32)28-29-14-7-15-30-28/h1-15,21,31H,16-20,22H2