N-(2-fluorophenyl)-4-[4-(2-phenylsulfanylethyl)piperazin-1-yl]carbonyl-benzenesulfonamide

Systemtic Name: N-(2-fluorophenyl)-4-[4-(2-phenylsulfanylethyl)piperazin-1-yl]carbonyl-benzenesulfonamide Openeye Name: N-(2-fluorophenyl)-4-[4-(2-phenylsulfanylethyl)piperazine-1-carbonyl]benzenesulfonamide CAS Name: N-(2-fluorophenyl)-4-[oxo-[4-[2-(phenylthio)ethyl]-1-piperazinyl]methyl]benzenesulfonamide IUPAC Name: N-(2-fluorophenyl)-4-[4-(2-phenylsulfanylethyl)piperazine-1-carbonyl]benzenesulfonamide Traditional Name: N-(2-fluorophenyl)-4-[4-[2-(phenylthio)ethyl]piperazine-1-carbonyl]benzenesulfonamide Formula: C25H26FN3O3S2 MolecularWeight: 499.620643

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCSC2=CC=CC=C2)C(=O)C3=CC=C(C=C3)S(=O)(=O)NC4=CC=CC=C4F

Isomeric SMILES

C1CN(CCN1CCSC2=CC=CC=C2)C(=O)C3=CC=C(C=C3)S(=O)(=O)NC4=CC=CC=C4F

InChI

InChI=1S/C25H26FN3O3S2/c26-23-8-4-5-9-24(23)27-34(31,32)22-12-10-20(11-13-22)25(30)29-16-14-28(15-17-29)18-19-33-21-6-2-1-3-7-21/h1-13,27H,14-19H2