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

Systemtic Name: 2-[4-(2-chloranyl-4-fluoranyl-phenyl)sulfonyl-1,4-diazepan-1-ium-1-yl]-N,N-dimethyl-ethanamide Openeye Name: 2-[4-(2-chloro-4-fluoro-phenyl)sulfonyl-1,4-diazepan-1-ium-1-yl]-N,N-dimethyl-acetamide CAS Name: 2-[4-(2-chloro-4-fluorophenyl)sulfonyl-1,4-diazepan-1-ium-1-yl]-N,N-dimethylacetamide IUPAC Name: 2-[4-(2-chloro-4-fluorophenyl)sulfonyl-1,4-diazepan-1-ium-1-yl]-N,N-dimethylacetamide Traditional Name: 2-[4-(2-chloro-4-fluoro-phenyl)sulfonyl-1,4-diazepan-1-ium-1-yl]-N,N-dimethyl-acetamide Formula: C15H22ClFN3O3S+ MolecularWeight: 378.869883

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H21ClFN3O3S/c1-18(2)15(21)11-19-6-3-7-20(9-8-19)24(22,23)14-5-4-12(17)10-13(14)16/h4-5,10H,3,6-9,11H2,1-2H3/p+1