3-[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperazin-1-ium-1-yl]propanenitrile

Systemtic Name: 3-[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperazin-1-ium-1-yl]propanenitrile Openeye Name: 3-[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperazin-1-ium-1-yl]propanenitrile CAS Name: 3-[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)-1-piperazin-1-iumyl]propanenitrile IUPAC Name: 3-[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperazin-1-ium-1-yl]propanenitrile Traditional Name: 3-(4-piazthiol-4-ylsulfonylpiperazin-1-ium-1-yl)propionitrile Formula: C13H16N5O2S2+ MolecularWeight: 338.42844

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCC#N)S(=O)(=O)C2=CC=CC3=NSN=C32

Isomeric SMILES

C1CN(CC[NH+]1CCC#N)S(=O)(=O)C2=CC=CC3=NSN=C32

InChI

InChI=1S/C13H15N5O2S2/c14-5-2-6-17-7-9-18(10-8-17)22(19,20)12-4-1-3-11-13(12)16-21-15-11/h1,3-4H,2,6-10H2/p+1