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

Systemtic Name: N-tert-butyl-2-[4-[4-chloranyl-2-(trifluoromethyl)phenyl]sulfonyl-1,4-diazepan-1-ium-1-yl]ethanamide Openeye Name: N-tert-butyl-2-[4-[4-chloro-2-(trifluoromethyl)phenyl]sulfonyl-1,4-diazepan-1-ium-1-yl]acetamide CAS Name: N-tert-butyl-2-[4-[4-chloro-2-(trifluoromethyl)phenyl]sulfonyl-1,4-diazepan-1-ium-1-yl]acetamide IUPAC Name: N-tert-butyl-2-[4-[4-chloro-2-(trifluoromethyl)phenyl]sulfonyl-1,4-diazepan-1-ium-1-yl]acetamide Traditional Name: N-tert-butyl-2-[4-[4-chloro-2-(trifluoromethyl)phenyl]sulfonyl-1,4-diazepan-1-ium-1-yl]acetamide Formula: C18H26ClF3N3O3S+ MolecularWeight: 456.93055

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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)Cl)C(F)(F)F

Isomeric SMILES

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

InChI

InChI=1S/C18H25ClF3N3O3S/c1-17(2,3)23-16(26)12-24-7-4-8-25(10-9-24)29(27,28)15-6-5-13(19)11-14(15)18(20,21)22/h5-6,11H,4,7-10,12H2,1-3H3,(H,23,26)/p+1