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

Systemtic Name: N-(2,1,3-benzothiadiazol-4-yl)-2-[4-(phenylsulfonyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: 2-[4-(benzenesulfonyl)piperazin-1-ium-1-yl]-N-(2,1,3-benzothiadiazol-4-yl)acetamide CAS Name: 2-[4-(benzenesulfonyl)-1-piperazin-1-iumyl]-N-(2,1,3-benzothiadiazol-4-yl)acetamide IUPAC Name: 2-[4-(benzenesulfonyl)piperazin-1-ium-1-yl]-N-(2,1,3-benzothiadiazol-4-yl)acetamide Traditional Name: 2-(4-besylpiperazin-1-ium-1-yl)-N-piazthiol-4-yl-acetamide Formula: C18H20N5O3S2+ MolecularWeight: 418.5131

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NC2=CC=CC3=NSN=C32)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NC2=CC=CC3=NSN=C32)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C18H19N5O3S2/c24-17(19-15-7-4-8-16-18(15)21-27-20-16)13-22-9-11-23(12-10-22)28(25,26)14-5-2-1-3-6-14/h1-8H,9-13H2,(H,19,24)/p+1