N-[4-chloranyl-3-(trifluoromethyl)phenyl]-2-(4-methylsulfonyl-1,4-diazepan-1-ium-1-yl)ethanamide

Systemtic Name: N-[4-chloranyl-3-(trifluoromethyl)phenyl]-2-(4-methylsulfonyl-1,4-diazepan-1-ium-1-yl)ethanamide Openeye Name: N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(4-methylsulfonyl-1,4-diazepan-1-ium-1-yl)acetamide CAS Name: N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(4-methylsulfonyl-1,4-diazepan-1-ium-1-yl)acetamide IUPAC Name: N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(4-methylsulfonyl-1,4-diazepan-1-ium-1-yl)acetamide Traditional Name: N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(4-mesyl-1,4-diazepan-1-ium-1-yl)acetamide Formula: C15H20ClF3N3O3S+ MolecularWeight: 414.85081

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCC[NH+](CC1)CC(=O)NC2=CC(=C(C=C2)Cl)C(F)(F)F

Isomeric SMILES

CS(=O)(=O)N1CCC[NH+](CC1)CC(=O)NC2=CC(=C(C=C2)Cl)C(F)(F)F

InChI

InChI=1S/C15H19ClF3N3O3S/c1-26(24,25)22-6-2-5-21(7-8-22)10-14(23)20-11-3-4-13(16)12(9-11)15(17,18)19/h3-4,9H,2,5-8,10H2,1H3,(H,20,23)/p+1