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

Systemtic Name: N-[4-[2-[[2-(6-azanylpyridin-3-yl)-2-oxidanyl-ethyl]amino]ethyl]phenyl]-4-iodanyl-benzenesulfonamide Openeye Name: N-[4-[2-[[2-(6-amino-3-pyridyl)-2-hydroxy-ethyl]amino]ethyl]phenyl]-4-iodo-benzenesulfonamide CAS Name: N-[4-[2-[[2-(6-amino-3-pyridinyl)-2-hydroxyethyl]amino]ethyl]phenyl]-4-iodobenzenesulfonamide IUPAC Name: N-[4-[2-[[2-(6-aminopyridin-3-yl)-2-hydroxyethyl]amino]ethyl]phenyl]-4-iodobenzenesulfonamide Traditional Name: N-[4-[2-[[2-(6-amino-3-pyridyl)-2-hydroxy-ethyl]amino]ethyl]phenyl]-4-iodo-benzenesulfonamide Formula: C21H23IN4O3S MolecularWeight: 538.40179

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CCNCC(C2=CN=C(C=C2)N)O)NS(=O)(=O)C3=CC=C(C=C3)I

Isomeric SMILES

C1=CC(=CC=C1CCNCC(C2=CN=C(C=C2)N)O)NS(=O)(=O)C3=CC=C(C=C3)I

InChI

InChI=1S/C21H23IN4O3S/c22-17-4-8-19(9-5-17)30(28,29)26-18-6-1-15(2-7-18)11-12-24-14-20(27)16-3-10-21(23)25-13-16/h1-10,13,20,24,26-27H,11-12,14H2,(H2,23,25)