N-[2-(2-fluoranyl-5-oxidanyl-phenyl)-2-(4-methylpiperazin-1-yl)ethyl]-4-phenoxy-benzenesulfonamide

Systemtic Name: N-[2-(2-fluoranyl-5-oxidanyl-phenyl)-2-(4-methylpiperazin-1-yl)ethyl]-4-phenoxy-benzenesulfonamide Openeye Name: N-[2-(2-fluoro-5-hydroxy-phenyl)-2-(4-methylpiperazin-1-yl)ethyl]-4-phenoxy-benzenesulfonamide CAS Name: N-[2-(2-fluoro-5-hydroxyphenyl)-2-(4-methyl-1-piperazinyl)ethyl]-4-phenoxybenzenesulfonamide IUPAC Name: N-[2-(2-fluoro-5-hydroxyphenyl)-2-(4-methylpiperazin-1-yl)ethyl]-4-phenoxybenzenesulfonamide Traditional Name: N-[2-(2-fluoro-5-hydroxy-phenyl)-2-(4-methylpiperazino)ethyl]-4-phenoxy-benzenesulfonamide Formula: C25H28FN3O4S MolecularWeight: 485.570923

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C(CNS(=O)(=O)C2=CC=C(C=C2)OC3=CC=CC=C3)C4=C(C=CC(=C4)O)F

Isomeric SMILES

CN1CCN(CC1)C(CNS(=O)(=O)C2=CC=C(C=C2)OC3=CC=CC=C3)C4=C(C=CC(=C4)O)F

InChI

InChI=1S/C25H28FN3O4S/c1-28-13-15-29(16-14-28)25(23-17-19(30)7-12-24(23)26)18-27-34(31,32)22-10-8-21(9-11-22)33-20-5-3-2-4-6-20/h2-12,17,25,27,30H,13-16,18H2,1H3