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

Systemtic Name: N-[2-(3-fluoranylpiperazin-1-yl)-4-(2-hydroxyphenyl)phenyl]-2-oxidanyl-benzenesulfonamide Openeye Name: N-[2-(3-fluoropiperazin-1-yl)-4-(2-hydroxyphenyl)phenyl]-2-hydroxy-benzenesulfonamide CAS Name: N-[2-(3-fluoro-1-piperazinyl)-4-(2-hydroxyphenyl)phenyl]-2-hydroxybenzenesulfonamide IUPAC Name: N-[2-(3-fluoropiperazin-1-yl)-4-(2-hydroxyphenyl)phenyl]-2-hydroxybenzenesulfonamide Traditional Name: N-[2-(3-fluoropiperazino)-4-(2-hydroxyphenyl)phenyl]-2-hydroxy-benzenesulfonamide Formula: C22H22FN3O4S MolecularWeight: 443.491183

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22FN3O4S/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