N-[2-(3-iodanylpiperazin-1-yl)-4-(phenylmethyl)phenyl]-1-phenyl-methanesulfonamide

Systemtic Name: N-[2-(3-iodanylpiperazin-1-yl)-4-(phenylmethyl)phenyl]-1-phenyl-methanesulfonamide Openeye Name: N-[4-benzyl-2-(3-iodopiperazin-1-yl)phenyl]-1-phenyl-methanesulfonamide CAS Name: N-[2-(3-iodo-1-piperazinyl)-4-(phenylmethyl)phenyl]-1-phenylmethanesulfonamide IUPAC Name: N-[4-benzyl-2-(3-iodopiperazin-1-yl)phenyl]-1-phenylmethanesulfonamide Traditional Name: N-[4-benzyl-2-(3-iodopiperazino)phenyl]-1-phenyl-methanesulfonamide Formula: C24H26IN3O2S MolecularWeight: 547.45161

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC(N1)I)C2=C(C=CC(=C2)CC3=CC=CC=C3)NS(=O)(=O)CC4=CC=CC=C4

Isomeric SMILES

C1CN(CC(N1)I)C2=C(C=CC(=C2)CC3=CC=CC=C3)NS(=O)(=O)CC4=CC=CC=C4

InChI

InChI=1S/C24H26IN3O2S/c25-24-17-28(14-13-26-24)23-16-21(15-19-7-3-1-4-8-19)11-12-22(23)27-31(29,30)18-20-9-5-2-6-10-20/h1-12,16,24,26-27H,13-15,17-18H2