2-[[3-(azepan-1-ylsulfonyl)-2,6-bis(fluoranyl)phenyl]carbonylamino]ethyl-dimethyl-azanium

Systemtic Name: 2-[[3-(azepan-1-ylsulfonyl)-2,6-bis(fluoranyl)phenyl]carbonylamino]ethyl-dimethyl-azanium Openeye Name: 2-[[3-(azepan-1-ylsulfonyl)-2,6-difluoro-benzoyl]amino]ethyl-dimethyl-ammonium CAS Name: 2-[[[3-(1-azepanylsulfonyl)-2,6-difluorophenyl]-oxomethyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[[3-(azepan-1-ylsulfonyl)-2,6-difluorobenzoyl]amino]ethyl-dimethylazanium Traditional Name: 2-[[3-(azepan-1-ylsulfonyl)-2,6-difluoro-benzoyl]amino]ethyl-dimethyl-ammonium Formula: C17H26F2N3O3S+ MolecularWeight: 390.468446

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCNC(=O)C1=C(C=CC(=C1F)S(=O)(=O)N2CCCCCC2)F

Isomeric SMILES

C[NH+](C)CCNC(=O)C1=C(C=CC(=C1F)S(=O)(=O)N2CCCCCC2)F

InChI

InChI=1S/C17H25F2N3O3S/c1-21(2)12-9-20-17(23)15-13(18)7-8-14(16(15)19)26(24,25)22-10-5-3-4-6-11-22/h7-8H,3-6,9-12H2,1-2H3,(H,20,23)/p+1