2-[4-(4-cyanophenyl)sulfonyl-3,5-dimethyl-piperazin-2-yl]-N-(3-fluoranyl-2-methyl-phenyl)ethanamide

Systemtic Name: 2-[4-(4-cyanophenyl)sulfonyl-3,5-dimethyl-piperazin-2-yl]-N-(3-fluoranyl-2-methyl-phenyl)ethanamide Openeye Name: 2-[4-(4-cyanophenyl)sulfonyl-3,5-dimethyl-piperazin-2-yl]-N-(3-fluoro-2-methyl-phenyl)acetamide CAS Name: 2-[4-(4-cyanophenyl)sulfonyl-3,5-dimethyl-2-piperazinyl]-N-(3-fluoro-2-methylphenyl)acetamide IUPAC Name: 2-[4-(4-cyanophenyl)sulfonyl-3,5-dimethylpiperazin-2-yl]-N-(3-fluoro-2-methylphenyl)acetamide Traditional Name: 2-[4-(4-cyanophenyl)sulfonyl-3,5-dimethyl-piperazin-2-yl]-N-(3-fluoro-2-methyl-phenyl)acetamide Formula: C22H25FN4O3S MolecularWeight: 444.522303

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Descriptors Computed from Structure

Canonical SMILES:

CC1CNC(C(N1S(=O)(=O)C2=CC=C(C=C2)C#N)C)CC(=O)NC3=C(C(=CC=C3)F)C

Isomeric SMILES

CC1CNC(C(N1S(=O)(=O)C2=CC=C(C=C2)C#N)C)CC(=O)NC3=C(C(=CC=C3)F)C

InChI

InChI=1S/C22H25FN4O3S/c1-14-13-25-21(11-22(28)26-20-6-4-5-19(23)15(20)2)16(3)27(14)31(29,30)18-9-7-17(12-24)8-10-18/h4-10,14,16,21,25H,11,13H2,1-3H3,(H,26,28)