N-[2-(azepan-1-ium-1-yl)ethyl]-2,1,3-benzothiadiazole-4-sulfonamide

Systemtic Name: N-[2-(azepan-1-ium-1-yl)ethyl]-2,1,3-benzothiadiazole-4-sulfonamide Openeye Name: N-[2-(azepan-1-ium-1-yl)ethyl]-2,1,3-benzothiadiazole-4-sulfonamide CAS Name: N-[2-(1-azepan-1-iumyl)ethyl]-2,1,3-benzothiadiazole-4-sulfonamide IUPAC Name: N-[2-(azepan-1-ium-1-yl)ethyl]-2,1,3-benzothiadiazole-4-sulfonamide Traditional Name: N-[2-(azepan-1-ium-1-yl)ethyl]piazthiole-4-sulfonamide Formula: C14H21N4O2S2+ MolecularWeight: 341.47214

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)CCNS(=O)(=O)C2=CC=CC3=NSN=C32

Isomeric SMILES

C1CCC[NH+](CC1)CCNS(=O)(=O)C2=CC=CC3=NSN=C32

InChI

InChI=1S/C14H20N4O2S2/c19-22(20,13-7-5-6-12-14(13)17-21-16-12)15-8-11-18-9-3-1-2-4-10-18/h5-7,15H,1-4,8-11H2/p+1