1-[4-phenyl-4-(phenylsulfonyl)butyl]-4-(pyridin-4-ylmethyl)piperazine

Systemtic Name: 1-[4-phenyl-4-(phenylsulfonyl)butyl]-4-(pyridin-4-ylmethyl)piperazine Openeye Name: 1-[4-(benzenesulfonyl)-4-phenyl-butyl]-4-(4-pyridylmethyl)piperazine CAS Name: 1-[4-(benzenesulfonyl)-4-phenylbutyl]-4-(pyridin-4-ylmethyl)piperazine IUPAC Name: 1-[4-(benzenesulfonyl)-4-phenylbutyl]-4-(pyridin-4-ylmethyl)piperazine Traditional Name: 1-(4-besyl-4-phenyl-butyl)-4-(4-pyridylmethyl)piperazine Formula: C26H31N3O2S MolecularWeight: 449.60824

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCC(C2=CC=CC=C2)S(=O)(=O)C3=CC=CC=C3)CC4=CC=NC=C4

Isomeric SMILES

C1CN(CCN1CCCC(C2=CC=CC=C2)S(=O)(=O)C3=CC=CC=C3)CC4=CC=NC=C4

InChI

InChI=1S/C26H31N3O2S/c30-32(31,25-10-5-2-6-11-25)26(24-8-3-1-4-9-24)12-7-17-28-18-20-29(21-19-28)22-23-13-15-27-16-14-23/h1-6,8-11,13-16,26H,7,12,17-22H2