N-(3-methylsulfonylphenyl)-2-[4-[2-(trifluoromethyl)phenyl]carbonylpiperazin-1-yl]ethanamide

Systemtic Name: N-(3-methylsulfonylphenyl)-2-[4-[2-(trifluoromethyl)phenyl]carbonylpiperazin-1-yl]ethanamide Openeye Name: N-(3-methylsulfonylphenyl)-2-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]acetamide CAS Name: N-(3-methylsulfonylphenyl)-2-[4-[oxo-[2-(trifluoromethyl)phenyl]methyl]-1-piperazinyl]acetamide IUPAC Name: N-(3-methylsulfonylphenyl)-2-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]acetamide Traditional Name: N-(3-mesylphenyl)-2-[4-[2-(trifluoromethyl)benzoyl]piperazino]acetamide Formula: C21H22F3N3O4S MolecularWeight: 469.47729

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=CC(=C1)NC(=O)CN2CCN(CC2)C(=O)C3=CC=CC=C3C(F)(F)F

Isomeric SMILES

CS(=O)(=O)C1=CC=CC(=C1)NC(=O)CN2CCN(CC2)C(=O)C3=CC=CC=C3C(F)(F)F

InChI

InChI=1S/C21H22F3N3O4S/c1-32(30,31)16-6-4-5-15(13-16)25-19(28)14-26-9-11-27(12-10-26)20(29)17-7-2-3-8-18(17)21(22,23)24/h2-8,13H,9-12,14H2,1H3,(H,25,28)