N-[3-(azepan-1-ium-1-yl)propyl]-1-(2-chloranyl-6-fluoranyl-phenyl)methanesulfonamide

Systemtic Name: N-[3-(azepan-1-ium-1-yl)propyl]-1-(2-chloranyl-6-fluoranyl-phenyl)methanesulfonamide Openeye Name: N-[3-(azepan-1-ium-1-yl)propyl]-1-(2-chloro-6-fluoro-phenyl)methanesulfonamide CAS Name: N-[3-(1-azepan-1-iumyl)propyl]-1-(2-chloro-6-fluorophenyl)methanesulfonamide IUPAC Name: N-[3-(azepan-1-ium-1-yl)propyl]-1-(2-chloro-6-fluorophenyl)methanesulfonamide Traditional Name: N-[3-(azepan-1-ium-1-yl)propyl]-1-(2-chloro-6-fluoro-phenyl)methanesulfonamide Formula: C16H25ClFN2O2S+ MolecularWeight: 363.898303

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)CCCNS(=O)(=O)CC2=C(C=CC=C2Cl)F

Isomeric SMILES

C1CCC[NH+](CC1)CCCNS(=O)(=O)CC2=C(C=CC=C2Cl)F

InChI

InChI=1S/C16H24ClFN2O2S/c17-15-7-5-8-16(18)14(15)13-23(21,22)19-9-6-12-20-10-3-1-2-4-11-20/h5,7-8,19H,1-4,6,9-13H2/p+1