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

Systemtic Name: N-tert-butyl-2-[4-(3-chloranyl-4-fluoranyl-phenyl)sulfonyl-1,4-diazepan-1-ium-1-yl]ethanamide Openeye Name: N-tert-butyl-2-[4-(3-chloro-4-fluoro-phenyl)sulfonyl-1,4-diazepan-1-ium-1-yl]acetamide CAS Name: N-tert-butyl-2-[4-(3-chloro-4-fluorophenyl)sulfonyl-1,4-diazepan-1-ium-1-yl]acetamide IUPAC Name: N-tert-butyl-2-[4-(3-chloro-4-fluorophenyl)sulfonyl-1,4-diazepan-1-ium-1-yl]acetamide Traditional Name: N-tert-butyl-2-[4-(3-chloro-4-fluoro-phenyl)sulfonyl-1,4-diazepan-1-ium-1-yl]acetamide Formula: C17H26ClFN3O3S+ MolecularWeight: 406.923043

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H25ClFN3O3S/c1-17(2,3)20-16(23)12-21-7-4-8-22(10-9-21)26(24,25)13-5-6-15(19)14(18)11-13/h5-6,11H,4,7-10,12H2,1-3H3,(H,20,23)/p+1