N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]-2,1,3-benzothiadiazole-4-sulfonamide

Systemtic Name: N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]-2,1,3-benzothiadiazole-4-sulfonamide Openeye Name: N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]-2,1,3-benzothiadiazole-4-sulfonamide CAS Name: N-[[2-(1-pyrrolidin-1-iumylmethyl)phenyl]methyl]-2,1,3-benzothiadiazole-4-sulfonamide IUPAC Name: N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]-2,1,3-benzothiadiazole-4-sulfonamide Traditional Name: N-[2-(pyrrolidin-1-ium-1-ylmethyl)benzyl]piazthiole-4-sulfonamide Formula: C18H21N4O2S2+ MolecularWeight: 389.51494

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CC2=CC=CC=C2CNS(=O)(=O)C3=CC=CC4=NSN=C43

Isomeric SMILES

C1CC[NH+](C1)CC2=CC=CC=C2CNS(=O)(=O)C3=CC=CC4=NSN=C43

InChI

InChI=1S/C18H20N4O2S2/c23-26(24,17-9-5-8-16-18(17)21-25-20-16)19-12-14-6-1-2-7-15(14)13-22-10-3-4-11-22/h1-2,5-9,19H,3-4,10-13H2/p+1