N-(2-cyanoethyl)-N-(2-pyrrolidin-1-ium-1-ylethyl)-2,1,3-benzothiadiazole-4-sulfonamide

Systemtic Name: N-(2-cyanoethyl)-N-(2-pyrrolidin-1-ium-1-ylethyl)-2,1,3-benzothiadiazole-4-sulfonamide Openeye Name: N-(2-cyanoethyl)-N-(2-pyrrolidin-1-ium-1-ylethyl)-2,1,3-benzothiadiazole-4-sulfonamide CAS Name: N-(2-cyanoethyl)-N-[2-(1-pyrrolidin-1-iumyl)ethyl]-2,1,3-benzothiadiazole-4-sulfonamide IUPAC Name: N-(2-cyanoethyl)-N-(2-pyrrolidin-1-ium-1-ylethyl)-2,1,3-benzothiadiazole-4-sulfonamide Traditional Name: N-(2-cyanoethyl)-N-(2-pyrrolidin-1-ium-1-ylethyl)piazthiole-4-sulfonamide Formula: C15H20N5O2S2+ MolecularWeight: 366.4816

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CCN(CCC#N)S(=O)(=O)C2=CC=CC3=NSN=C32

Isomeric SMILES

C1CC[NH+](C1)CCN(CCC#N)S(=O)(=O)C2=CC=CC3=NSN=C32

InChI

InChI=1S/C15H19N5O2S2/c16-7-4-10-20(12-11-19-8-1-2-9-19)24(21,22)14-6-3-5-13-15(14)18-23-17-13/h3,5-6H,1-2,4,8-12H2/p+1