N-[4-(2-hydroxyphenyl)-2-(3-iodanylpiperazin-1-yl)phenyl]-2-oxidanyl-benzenesulfonamide

Systemtic Name: N-[4-(2-hydroxyphenyl)-2-(3-iodanylpiperazin-1-yl)phenyl]-2-oxidanyl-benzenesulfonamide Openeye Name: 2-hydroxy-N-[4-(2-hydroxyphenyl)-2-(3-iodopiperazin-1-yl)phenyl]benzenesulfonamide CAS Name: 2-hydroxy-N-[4-(2-hydroxyphenyl)-2-(3-iodo-1-piperazinyl)phenyl]benzenesulfonamide IUPAC Name: 2-hydroxy-N-[4-(2-hydroxyphenyl)-2-(3-iodopiperazin-1-yl)phenyl]benzenesulfonamide Traditional Name: 2-hydroxy-N-[4-(2-hydroxyphenyl)-2-(3-iodopiperazino)phenyl]benzenesulfonamide Formula: C22H22IN3O4S MolecularWeight: 551.39725

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC(N1)I)C2=C(C=CC(=C2)C3=CC=CC=C3O)NS(=O)(=O)C4=CC=CC=C4O

Isomeric SMILES

C1CN(CC(N1)I)C2=C(C=CC(=C2)C3=CC=CC=C3O)NS(=O)(=O)C4=CC=CC=C4O

InChI

InChI=1S/C22H22IN3O4S/c23-22-14-26(12-11-24-22)18-13-15(16-5-1-2-6-19(16)27)9-10-17(18)25-31(29,30)21-8-4-3-7-20(21)28/h1-10,13,22,24-25,27-28H,11-12,14H2