3-[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperazin-1-ium-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide

Systemtic Name: 3-[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperazin-1-ium-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide Openeye Name: 3-[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperazin-1-ium-1-yl]-N-(5-methylisoxazol-3-yl)propanamide CAS Name: 3-[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)-1-piperazin-1-iumyl]-N-(5-methyl-3-isoxazolyl)propanamide IUPAC Name: 3-[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperazin-1-ium-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide Traditional Name: N-(5-methylisoxazol-3-yl)-3-(4-piazthiol-4-ylsulfonylpiperazin-1-ium-1-yl)propionamide Formula: C17H21N6O4S2+ MolecularWeight: 437.51644

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)NC(=O)CC[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CC4=NSN=C43

Isomeric SMILES

CC1=CC(=NO1)NC(=O)CC[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CC4=NSN=C43

InChI

InChI=1S/C17H20N6O4S2/c1-12-11-15(19-27-12)18-16(24)5-6-22-7-9-23(10-8-22)29(25,26)14-4-2-3-13-17(14)21-28-20-13/h2-4,11H,5-10H2,1H3,(H,18,19,24)/p+1