3-[4-[(4-cyanophenyl)methyl]piperazin-1-yl]carbonyl-N-(2-fluorophenyl)-4-methyl-benzenesulfonamide

Systemtic Name: 3-[4-[(4-cyanophenyl)methyl]piperazin-1-yl]carbonyl-N-(2-fluorophenyl)-4-methyl-benzenesulfonamide Openeye Name: 3-[4-[(4-cyanophenyl)methyl]piperazine-1-carbonyl]-N-(2-fluorophenyl)-4-methyl-benzenesulfonamide CAS Name: 3-[[4-[(4-cyanophenyl)methyl]-1-piperazinyl]-oxomethyl]-N-(2-fluorophenyl)-4-methylbenzenesulfonamide IUPAC Name: 3-[4-[(4-cyanophenyl)methyl]piperazine-1-carbonyl]-N-(2-fluorophenyl)-4-methylbenzenesulfonamide Traditional Name: 3-[4-(4-cyanobenzyl)piperazine-1-carbonyl]-N-(2-fluorophenyl)-4-methyl-benzenesulfonamide Formula: C26H25FN4O3S MolecularWeight: 492.565103

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)NC2=CC=CC=C2F)C(=O)N3CCN(CC3)CC4=CC=C(C=C4)C#N

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)NC2=CC=CC=C2F)C(=O)N3CCN(CC3)CC4=CC=C(C=C4)C#N

InChI

InChI=1S/C26H25FN4O3S/c1-19-6-11-22(35(33,34)29-25-5-3-2-4-24(25)27)16-23(19)26(32)31-14-12-30(13-15-31)18-21-9-7-20(17-28)8-10-21/h2-11,16,29H,12-15,18H2,1H3