2-[4-(2-fluorophenyl)sulfonyl-1,4-diazepan-1-ium-1-yl]ethanamide

Systemtic Name: 2-[4-(2-fluorophenyl)sulfonyl-1,4-diazepan-1-ium-1-yl]ethanamide Openeye Name: 2-[4-(2-fluorophenyl)sulfonyl-1,4-diazepan-1-ium-1-yl]acetamide CAS Name: 2-[4-(2-fluorophenyl)sulfonyl-1,4-diazepan-1-ium-1-yl]acetamide IUPAC Name: 2-[4-(2-fluorophenyl)sulfonyl-1,4-diazepan-1-ium-1-yl]acetamide Traditional Name: 2-[4-(2-fluorophenyl)sulfonyl-1,4-diazepan-1-ium-1-yl]acetamide Formula: C13H19FN3O3S+ MolecularWeight: 316.371663

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCN(C1)S(=O)(=O)C2=CC=CC=C2F)CC(=O)N

Isomeric SMILES

C1C[NH+](CCN(C1)S(=O)(=O)C2=CC=CC=C2F)CC(=O)N

InChI

InChI=1S/C13H18FN3O3S/c14-11-4-1-2-5-12(11)21(19,20)17-7-3-6-16(8-9-17)10-13(15)18/h1-2,4-5H,3,6-10H2,(H2,15,18)/p+1