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

Systemtic Name: 2-[3,5-dimethyl-4-(2-methylsulfonylphenyl)sulfonyl-piperazin-1-yl]-N-(3-fluoranyl-2-methyl-phenyl)ethanamide Openeye Name: 2-[3,5-dimethyl-4-(2-methylsulfonylphenyl)sulfonyl-piperazin-1-yl]-N-(3-fluoro-2-methyl-phenyl)acetamide CAS Name: 2-[3,5-dimethyl-4-(2-methylsulfonylphenyl)sulfonyl-1-piperazinyl]-N-(3-fluoro-2-methylphenyl)acetamide IUPAC Name: 2-[3,5-dimethyl-4-(2-methylsulfonylphenyl)sulfonylpiperazin-1-yl]-N-(3-fluoro-2-methylphenyl)acetamide Traditional Name: N-(3-fluoro-2-methyl-phenyl)-2-[4-(2-mesylphenyl)sulfonyl-3,5-dimethyl-piperazino]acetamide Formula: C22H28FN3O5S2 MolecularWeight: 497.603223

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CC(N1S(=O)(=O)C2=CC=CC=C2S(=O)(=O)C)C)CC(=O)NC3=C(C(=CC=C3)F)C

Isomeric SMILES

CC1CN(CC(N1S(=O)(=O)C2=CC=CC=C2S(=O)(=O)C)C)CC(=O)NC3=C(C(=CC=C3)F)C

InChI

InChI=1S/C22H28FN3O5S2/c1-15-12-25(14-22(27)24-19-9-7-8-18(23)17(19)3)13-16(2)26(15)33(30,31)21-11-6-5-10-20(21)32(4,28)29/h5-11,15-16H,12-14H2,1-4H3,(H,24,27)