2-[4-(phenylmethyl)-1-(phenylmethyl)sulfonyl-piperazin-2-yl]-1H-benzimidazole

Systemtic Name: 2-[4-(phenylmethyl)-1-(phenylmethyl)sulfonyl-piperazin-2-yl]-1H-benzimidazole Openeye Name: 2-(4-benzyl-1-benzylsulfonyl-piperazin-2-yl)-1H-benzimidazole CAS Name: 2-[4-(phenylmethyl)-1-(phenylmethyl)sulfonyl-2-piperazinyl]-1H-benzimidazole IUPAC Name: 2-(4-benzyl-1-benzylsulfonylpiperazin-2-yl)-1H-benzimidazole Traditional Name: 2-(4-benzyl-1-benzylsulfonyl-piperazin-2-yl)-1H-benzimidazole Formula: C25H26N4O2S MolecularWeight: 446.56454

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(CN1CC2=CC=CC=C2)C3=NC4=CC=CC=C4N3)S(=O)(=O)CC5=CC=CC=C5

Isomeric SMILES

C1CN(C(CN1CC2=CC=CC=C2)C3=NC4=CC=CC=C4N3)S(=O)(=O)CC5=CC=CC=C5

InChI

InChI=1S/C25H26N4O2S/c30-32(31,19-21-11-5-2-6-12-21)29-16-15-28(17-20-9-3-1-4-10-20)18-24(29)25-26-22-13-7-8-14-23(22)27-25/h1-14,24H,15-19H2,(H,26,27)