2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-N-[(4-fluoranyl-3-methyl-phenyl)methyl]ethanamide

Systemtic Name: 2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-N-[(4-fluoranyl-3-methyl-phenyl)methyl]ethanamide Openeye Name: 2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-N-[(4-fluoro-3-methyl-phenyl)methyl]acetamide CAS Name: 2-[4-(2,4-dimethylphenyl)sulfonyl-1-piperazinyl]-N-[(4-fluoro-3-methylphenyl)methyl]acetamide IUPAC Name: 2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-N-[(4-fluoro-3-methylphenyl)methyl]acetamide Traditional Name: 2-[4-(2,4-dimethylphenyl)sulfonylpiperazino]-N-(4-fluoro-3-methyl-benzyl)acetamide Formula: C22H28FN3O3S MolecularWeight: 433.539423

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)S(=O)(=O)N2CCN(CC2)CC(=O)NCC3=CC(=C(C=C3)F)C)C

Isomeric SMILES

CC1=CC(=C(C=C1)S(=O)(=O)N2CCN(CC2)CC(=O)NCC3=CC(=C(C=C3)F)C)C

InChI

InChI=1S/C22H28FN3O3S/c1-16-4-7-21(18(3)12-16)30(28,29)26-10-8-25(9-11-26)15-22(27)24-14-19-5-6-20(23)17(2)13-19/h4-7,12-13H,8-11,14-15H2,1-3H3,(H,24,27)