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

Systemtic Name: N-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]-2,1,3-benzothiadiazole-4-sulfonamide Openeye Name: N-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]-2,1,3-benzothiadiazole-4-sulfonamide CAS Name: N-[[2-(1-piperidin-1-iumylmethyl)phenyl]methyl]-2,1,3-benzothiadiazole-4-sulfonamide IUPAC Name: N-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]-2,1,3-benzothiadiazole-4-sulfonamide Traditional Name: N-[2-(piperidin-1-ium-1-ylmethyl)benzyl]piazthiole-4-sulfonamide Formula: C19H23N4O2S2+ MolecularWeight: 403.54152

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC2=CC=CC=C2CNS(=O)(=O)C3=CC=CC4=NSN=C43

Isomeric SMILES

C1CC[NH+](CC1)CC2=CC=CC=C2CNS(=O)(=O)C3=CC=CC4=NSN=C43

InChI

InChI=1S/C19H22N4O2S2/c24-27(25,18-10-6-9-17-19(18)22-26-21-17)20-13-15-7-2-3-8-16(15)14-23-11-4-1-5-12-23/h2-3,6-10,20H,1,4-5,11-14H2/p+1