2-(4-methylsulfonyl-1,4-diazepan-1-yl)-N-[2-(trifluoromethyl)phenyl]ethanamide

Systemtic Name: 2-(4-methylsulfonyl-1,4-diazepan-1-yl)-N-[2-(trifluoromethyl)phenyl]ethanamide Openeye Name: 2-(4-methylsulfonyl-1,4-diazepan-1-yl)-N-[2-(trifluoromethyl)phenyl]acetamide CAS Name: 2-(4-methylsulfonyl-1,4-diazepan-1-yl)-N-[2-(trifluoromethyl)phenyl]acetamide IUPAC Name: 2-(4-methylsulfonyl-1,4-diazepan-1-yl)-N-[2-(trifluoromethyl)phenyl]acetamide Traditional Name: 2-(4-mesyl-1,4-diazepan-1-yl)-N-[2-(trifluoromethyl)phenyl]acetamide Formula: C15H20F3N3O3S MolecularWeight: 379.39781

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCCN(CC1)CC(=O)NC2=CC=CC=C2C(F)(F)F

Isomeric SMILES

CS(=O)(=O)N1CCCN(CC1)CC(=O)NC2=CC=CC=C2C(F)(F)F

InChI

InChI=1S/C15H20F3N3O3S/c1-25(23,24)21-8-4-7-20(9-10-21)11-14(22)19-13-6-3-2-5-12(13)15(16,17)18/h2-3,5-6H,4,7-11H2,1H3,(H,19,22)