2-(azepan-1-ium-1-yl)-N-[2-[bis(fluoranyl)methylsulfonyl]phenyl]ethanamide

Systemtic Name: 2-(azepan-1-ium-1-yl)-N-[2-[bis(fluoranyl)methylsulfonyl]phenyl]ethanamide Openeye Name: 2-(azepan-1-ium-1-yl)-N-[2-(difluoromethylsulfonyl)phenyl]acetamide CAS Name: 2-(1-azepan-1-iumyl)-N-[2-(difluoromethylsulfonyl)phenyl]acetamide IUPAC Name: 2-(azepan-1-ium-1-yl)-N-[2-(difluoromethylsulfonyl)phenyl]acetamide Traditional Name: 2-(azepan-1-ium-1-yl)-N-[2-(difluoromethylsulfonyl)phenyl]acetamide Formula: C15H21F2N2O3S+ MolecularWeight: 347.400646

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)CC(=O)NC2=CC=CC=C2S(=O)(=O)C(F)F

Isomeric SMILES

C1CCC[NH+](CC1)CC(=O)NC2=CC=CC=C2S(=O)(=O)C(F)F

InChI

InChI=1S/C15H20F2N2O3S/c16-15(17)23(21,22)13-8-4-3-7-12(13)18-14(20)11-19-9-5-1-2-6-10-19/h3-4,7-8,15H,1-2,5-6,9-11H2,(H,18,20)/p+1