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

Systemtic Name: N-[3-(azepan-1-ium-1-yl)propyl]-2,1,3-benzothiadiazole-4-sulfonamide Openeye Name: N-[3-(azepan-1-ium-1-yl)propyl]-2,1,3-benzothiadiazole-4-sulfonamide CAS Name: N-[3-(1-azepan-1-iumyl)propyl]-2,1,3-benzothiadiazole-4-sulfonamide IUPAC Name: N-[3-(azepan-1-ium-1-yl)propyl]-2,1,3-benzothiadiazole-4-sulfonamide Traditional Name: N-[3-(azepan-1-ium-1-yl)propyl]piazthiole-4-sulfonamide Formula: C15H23N4O2S2+ MolecularWeight: 355.49872

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H22N4O2S2/c20-23(21,14-8-5-7-13-15(14)18-22-17-13)16-9-6-12-19-10-3-1-2-4-11-19/h5,7-8,16H,1-4,6,9-12H2/p+1