N-[4-[3-[[2-(6-azanylpyridin-3-yl)-2-oxidanyl-ethyl]amino]propyl]phenyl]-4-iodanyl-benzenesulfonamide

Systemtic Name: N-[4-[3-[[2-(6-azanylpyridin-3-yl)-2-oxidanyl-ethyl]amino]propyl]phenyl]-4-iodanyl-benzenesulfonamide Openeye Name: N-[4-[3-[[2-(6-amino-3-pyridyl)-2-hydroxy-ethyl]amino]propyl]phenyl]-4-iodo-benzenesulfonamide CAS Name: N-[4-[3-[[2-(6-amino-3-pyridinyl)-2-hydroxyethyl]amino]propyl]phenyl]-4-iodobenzenesulfonamide IUPAC Name: N-[4-[3-[[2-(6-aminopyridin-3-yl)-2-hydroxyethyl]amino]propyl]phenyl]-4-iodobenzenesulfonamide Traditional Name: N-[4-[3-[[2-(6-amino-3-pyridyl)-2-hydroxy-ethyl]amino]propyl]phenyl]-4-iodo-benzenesulfonamide Formula: C22H25IN4O3S MolecularWeight: 552.42837

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CCCNCC(C2=CN=C(C=C2)N)O)NS(=O)(=O)C3=CC=C(C=C3)I

Isomeric SMILES

C1=CC(=CC=C1CCCNCC(C2=CN=C(C=C2)N)O)NS(=O)(=O)C3=CC=C(C=C3)I

InChI

InChI=1S/C22H25IN4O3S/c23-18-6-10-20(11-7-18)31(29,30)27-19-8-3-16(4-9-19)2-1-13-25-15-21(28)17-5-12-22(24)26-14-17/h3-12,14,21,25,27-28H,1-2,13,15H2,(H2,24,26)