N-[2-(4-ethylpiperazin-4-ium-1-yl)phenyl]-2,1,3-benzothiadiazole-4-sulfonamide

Systemtic Name: N-[2-(4-ethylpiperazin-4-ium-1-yl)phenyl]-2,1,3-benzothiadiazole-4-sulfonamide Openeye Name: N-[2-(4-ethylpiperazin-4-ium-1-yl)phenyl]-2,1,3-benzothiadiazole-4-sulfonamide CAS Name: N-[2-(4-ethyl-1-piperazin-4-iumyl)phenyl]-2,1,3-benzothiadiazole-4-sulfonamide IUPAC Name: N-[2-(4-ethylpiperazin-4-ium-1-yl)phenyl]-2,1,3-benzothiadiazole-4-sulfonamide Traditional Name: N-[2-(4-ethylpiperazin-4-ium-1-yl)phenyl]piazthiole-4-sulfonamide Formula: C18H22N5O2S2+ MolecularWeight: 404.52958

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=CC=CC=C2NS(=O)(=O)C3=CC=CC4=NSN=C43

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=CC=CC=C2NS(=O)(=O)C3=CC=CC4=NSN=C43

InChI

InChI=1S/C18H21N5O2S2/c1-2-22-10-12-23(13-11-22)16-8-4-3-6-14(16)21-27(24,25)17-9-5-7-15-18(17)20-26-19-15/h3-9,21H,2,10-13H2,1H3/p+1