N-[2-[4-[(4-cyanophenyl)methyl]piperazin-1-yl]carbonylphenyl]-4-fluoranyl-benzenesulfonamide

Systemtic Name: N-[2-[4-[(4-cyanophenyl)methyl]piperazin-1-yl]carbonylphenyl]-4-fluoranyl-benzenesulfonamide Openeye Name: N-[2-[4-[(4-cyanophenyl)methyl]piperazine-1-carbonyl]phenyl]-4-fluoro-benzenesulfonamide CAS Name: N-[2-[[4-[(4-cyanophenyl)methyl]-1-piperazinyl]-oxomethyl]phenyl]-4-fluorobenzenesulfonamide IUPAC Name: N-[2-[4-[(4-cyanophenyl)methyl]piperazine-1-carbonyl]phenyl]-4-fluorobenzenesulfonamide Traditional Name: N-[2-[4-(4-cyanobenzyl)piperazine-1-carbonyl]phenyl]-4-fluoro-benzenesulfonamide Formula: C25H23FN4O3S MolecularWeight: 478.538523

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=C(C=C2)C#N)C(=O)C3=CC=CC=C3NS(=O)(=O)C4=CC=C(C=C4)F

Isomeric SMILES

C1CN(CCN1CC2=CC=C(C=C2)C#N)C(=O)C3=CC=CC=C3NS(=O)(=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C25H23FN4O3S/c26-21-9-11-22(12-10-21)34(32,33)28-24-4-2-1-3-23(24)25(31)30-15-13-29(14-16-30)18-20-7-5-19(17-27)6-8-20/h1-12,28H,13-16,18H2