2-[4-[2,6-bis(fluoranyl)phenyl]sulfonyl-1,4-diazepan-1-ium-1-yl]-N-tert-butyl-ethanamide

Systemtic Name: 2-[4-[2,6-bis(fluoranyl)phenyl]sulfonyl-1,4-diazepan-1-ium-1-yl]-N-tert-butyl-ethanamide Openeye Name: N-tert-butyl-2-[4-(2,6-difluorophenyl)sulfonyl-1,4-diazepan-1-ium-1-yl]acetamide CAS Name: N-tert-butyl-2-[4-(2,6-difluorophenyl)sulfonyl-1,4-diazepan-1-ium-1-yl]acetamide IUPAC Name: N-tert-butyl-2-[4-(2,6-difluorophenyl)sulfonyl-1,4-diazepan-1-ium-1-yl]acetamide Traditional Name: N-tert-butyl-2-[4-(2,6-difluorophenyl)sulfonyl-1,4-diazepan-1-ium-1-yl]acetamide Formula: C17H26F2N3O3S+ MolecularWeight: 390.468446

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)C[NH+]1CCCN(CC1)S(=O)(=O)C2=C(C=CC=C2F)F

Isomeric SMILES

CC(C)(C)NC(=O)C[NH+]1CCCN(CC1)S(=O)(=O)C2=C(C=CC=C2F)F

InChI

InChI=1S/C17H25F2N3O3S/c1-17(2,3)20-15(23)12-21-8-5-9-22(11-10-21)26(24,25)16-13(18)6-4-7-14(16)19/h4,6-7H,5,8-12H2,1-3H3,(H,20,23)/p+1