2-[4-[3,5-bis(fluoranyl)phenyl]sulfonyl-1,4-diazepan-1-ium-1-yl]-N-tert-butyl-ethanamide

Systemtic Name: 2-[4-[3,5-bis(fluoranyl)phenyl]sulfonyl-1,4-diazepan-1-ium-1-yl]-N-tert-butyl-ethanamide Openeye Name: N-tert-butyl-2-[4-(3,5-difluorophenyl)sulfonyl-1,4-diazepan-1-ium-1-yl]acetamide CAS Name: N-tert-butyl-2-[4-(3,5-difluorophenyl)sulfonyl-1,4-diazepan-1-ium-1-yl]acetamide IUPAC Name: N-tert-butyl-2-[4-(3,5-difluorophenyl)sulfonyl-1,4-diazepan-1-ium-1-yl]acetamide Traditional Name: N-tert-butyl-2-[4-(3,5-difluorophenyl)sulfonyl-1,4-diazepan-1-ium-1-yl]acetamide Formula: C17H26F2N3O3S+ MolecularWeight: 390.468446

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)C[NH+]1CCCN(CC1)S(=O)(=O)C2=CC(=CC(=C2)F)F

Isomeric SMILES

CC(C)(C)NC(=O)C[NH+]1CCCN(CC1)S(=O)(=O)C2=CC(=CC(=C2)F)F

InChI

InChI=1S/C17H25F2N3O3S/c1-17(2,3)20-16(23)12-21-5-4-6-22(8-7-21)26(24,25)15-10-13(18)9-14(19)11-15/h9-11H,4-8,12H2,1-3H3,(H,20,23)/p+1