2-[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperazin-1-ium-1-yl]-N-(phenylmethyl)ethanamide

Systemtic Name: 2-[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperazin-1-ium-1-yl]-N-(phenylmethyl)ethanamide Openeye Name: 2-[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperazin-1-ium-1-yl]-N-benzyl-acetamide CAS Name: 2-[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)-1-piperazin-1-iumyl]-N-(phenylmethyl)acetamide IUPAC Name: 2-[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperazin-1-ium-1-yl]-N-benzylacetamide Traditional Name: N-benzyl-2-(4-piazthiol-4-ylsulfonylpiperazin-1-ium-1-yl)acetamide Formula: C19H22N5O3S2+ MolecularWeight: 432.53968

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NCC2=CC=CC=C2)S(=O)(=O)C3=CC=CC4=NSN=C43

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NCC2=CC=CC=C2)S(=O)(=O)C3=CC=CC4=NSN=C43

InChI

InChI=1S/C19H21N5O3S2/c25-18(20-13-15-5-2-1-3-6-15)14-23-9-11-24(12-10-23)29(26,27)17-8-4-7-16-19(17)22-28-21-16/h1-8H,9-14H2,(H,20,25)/p+1