3-(4-iodanylimidazol-1-yl)propyl-dimethyl-[2-oxidanyl-2-[4-phenylmethoxy-3-(phenylsulfonylamino)phenyl]ethyl]azanium

Systemtic Name: 3-(4-iodanylimidazol-1-yl)propyl-dimethyl-[2-oxidanyl-2-[4-phenylmethoxy-3-(phenylsulfonylamino)phenyl]ethyl]azanium Openeye Name: [2-[3-(benzenesulfonamido)-4-benzyloxy-phenyl]-2-hydroxy-ethyl]-[3-(4-iodoimidazol-1-yl)propyl]-dimethyl-ammonium CAS Name: [2-[3-(benzenesulfonamido)-4-phenylmethoxyphenyl]-2-hydroxyethyl]-[3-(4-iodo-1-imidazolyl)propyl]-dimethylammonium IUPAC Name: [2-[3-(benzenesulfonamido)-4-phenylmethoxyphenyl]-2-hydroxyethyl]-[3-(4-iodoimidazol-1-yl)propyl]-dimethylazanium Traditional Name: [2-[3-(benzenesulfonamido)-4-benzoxy-phenyl]-2-hydroxy-ethyl]-[3-(4-iodoimidazol-1-yl)propyl]-dimethyl-ammonium Formula: C29H34IN4O4S+ MolecularWeight: 661.57413

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(CCCN1C=C(N=C1)I)CC(C2=CC(=C(C=C2)OCC3=CC=CC=C3)NS(=O)(=O)C4=CC=CC=C4)O

Isomeric SMILES

C[N+](C)(CCCN1C=C(N=C1)I)CC(C2=CC(=C(C=C2)OCC3=CC=CC=C3)NS(=O)(=O)C4=CC=CC=C4)O

InChI

InChI=1S/C29H34IN4O4S/c1-34(2,17-9-16-33-19-29(30)31-22-33)20-27(35)24-14-15-28(38-21-23-10-5-3-6-11-23)26(18-24)32-39(36,37)25-12-7-4-8-13-25/h3-8,10-15,18-19,22,27,32,35H,9,16-17,20-21H2,1-2H3/q+1