5-[[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperazin-1-ium-1-yl]methyl]-3-phenyl-1,2-oxazole

Systemtic Name: 5-[[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperazin-1-ium-1-yl]methyl]-3-phenyl-1,2-oxazole Openeye Name: 5-[[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperazin-1-ium-1-yl]methyl]-3-phenyl-isoxazole CAS Name: 5-[[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)-1-piperazin-1-iumyl]methyl]-3-phenylisoxazole IUPAC Name: 5-[[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperazin-1-ium-1-yl]methyl]-3-phenyl-1,2-oxazole Traditional Name: 3-phenyl-5-[(4-piazthiol-4-ylsulfonylpiperazin-1-ium-1-yl)methyl]isoxazole Formula: C20H20N5O3S2+ MolecularWeight: 442.5345

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC(=NO2)C3=CC=CC=C3)S(=O)(=O)C4=CC=CC5=NSN=C54

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC(=NO2)C3=CC=CC=C3)S(=O)(=O)C4=CC=CC5=NSN=C54

InChI

InChI=1S/C20H19N5O3S2/c26-30(27,19-8-4-7-17-20(19)23-29-22-17)25-11-9-24(10-12-25)14-16-13-18(21-28-16)15-5-2-1-3-6-15/h1-8,13H,9-12,14H2/p+1