N-[[4-[4-(2-fluorophenyl)piperazin-1-yl]carbonylphenyl]methyl]-2,5-dimethyl-benzenesulfonamide

Systemtic Name: N-[[4-[4-(2-fluorophenyl)piperazin-1-yl]carbonylphenyl]methyl]-2,5-dimethyl-benzenesulfonamide Openeye Name: N-[[4-[4-(2-fluorophenyl)piperazine-1-carbonyl]phenyl]methyl]-2,5-dimethyl-benzenesulfonamide CAS Name: N-[[4-[[4-(2-fluorophenyl)-1-piperazinyl]-oxomethyl]phenyl]methyl]-2,5-dimethylbenzenesulfonamide IUPAC Name: N-[[4-[4-(2-fluorophenyl)piperazine-1-carbonyl]phenyl]methyl]-2,5-dimethylbenzenesulfonamide Traditional Name: N-[4-[4-(2-fluorophenyl)piperazine-1-carbonyl]benzyl]-2,5-dimethyl-benzenesulfonamide Formula: C26H28FN3O3S MolecularWeight: 481.582223

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)S(=O)(=O)NCC2=CC=C(C=C2)C(=O)N3CCN(CC3)C4=CC=CC=C4F

Isomeric SMILES

CC1=CC(=C(C=C1)C)S(=O)(=O)NCC2=CC=C(C=C2)C(=O)N3CCN(CC3)C4=CC=CC=C4F

InChI

InChI=1S/C26H28FN3O3S/c1-19-7-8-20(2)25(17-19)34(32,33)28-18-21-9-11-22(12-10-21)26(31)30-15-13-29(14-16-30)24-6-4-3-5-23(24)27/h3-12,17,28H,13-16,18H2,1-2H3