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

Systemtic Name: 2-[4-[2,4-bis(fluoranyl)phenyl]sulfonyl-1,4-diazepan-1-ium-1-yl]-N-tert-butyl-ethanamide Openeye Name: N-tert-butyl-2-[4-(2,4-difluorophenyl)sulfonyl-1,4-diazepan-1-ium-1-yl]acetamide CAS Name: N-tert-butyl-2-[4-(2,4-difluorophenyl)sulfonyl-1,4-diazepan-1-ium-1-yl]acetamide IUPAC Name: N-tert-butyl-2-[4-(2,4-difluorophenyl)sulfonyl-1,4-diazepan-1-ium-1-yl]acetamide Traditional Name: N-tert-butyl-2-[4-(2,4-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=C(C=C(C=C2)F)F

Isomeric SMILES

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

InChI

InChI=1S/C17H25F2N3O3S/c1-17(2,3)20-16(23)12-21-7-4-8-22(10-9-21)26(24,25)15-6-5-13(18)11-14(15)19/h5-6,11H,4,7-10,12H2,1-3H3,(H,20,23)/p+1