2-[4-(4-cyanophenyl)sulfonyl-3,5-dimethyl-piperazin-1-yl]-N-(3-fluoranyl-2-methyl-phenyl)ethanamide

Systemtic Name: 2-[4-(4-cyanophenyl)sulfonyl-3,5-dimethyl-piperazin-1-yl]-N-(3-fluoranyl-2-methyl-phenyl)ethanamide Openeye Name: 2-[4-(4-cyanophenyl)sulfonyl-3,5-dimethyl-piperazin-1-yl]-N-(3-fluoro-2-methyl-phenyl)acetamide CAS Name: 2-[4-(4-cyanophenyl)sulfonyl-3,5-dimethyl-1-piperazinyl]-N-(3-fluoro-2-methylphenyl)acetamide IUPAC Name: 2-[4-(4-cyanophenyl)sulfonyl-3,5-dimethylpiperazin-1-yl]-N-(3-fluoro-2-methylphenyl)acetamide Traditional Name: 2-[4-(4-cyanophenyl)sulfonyl-3,5-dimethyl-piperazino]-N-(3-fluoro-2-methyl-phenyl)acetamide Formula: C22H25FN4O3S MolecularWeight: 444.522303

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CC(N1S(=O)(=O)C2=CC=C(C=C2)C#N)C)CC(=O)NC3=C(C(=CC=C3)F)C

Isomeric SMILES

CC1CN(CC(N1S(=O)(=O)C2=CC=C(C=C2)C#N)C)CC(=O)NC3=C(C(=CC=C3)F)C

InChI

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