N-(5-methyl-1,2-oxazol-3-yl)-2-[4-(3-sulfamoylphenyl)sulfonylpiperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(5-methyl-1,2-oxazol-3-yl)-2-[4-(3-sulfamoylphenyl)sulfonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: N-(5-methylisoxazol-3-yl)-2-[4-(3-sulfamoylphenyl)sulfonylpiperazin-1-ium-1-yl]acetamide CAS Name: N-(5-methyl-3-isoxazolyl)-2-[4-(3-sulfamoylphenyl)sulfonyl-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(5-methyl-1,2-oxazol-3-yl)-2-[4-(3-sulfamoylphenyl)sulfonylpiperazin-1-ium-1-yl]acetamide Traditional Name: N-(5-methylisoxazol-3-yl)-2-[4-(3-sulfamoylphenyl)sulfonylpiperazin-1-ium-1-yl]acetamide Formula: C16H22N5O6S2+ MolecularWeight: 444.50578

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)NC(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC(=CC=C3)S(=O)(=O)N

Isomeric SMILES

CC1=CC(=NO1)NC(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC(=CC=C3)S(=O)(=O)N

InChI

InChI=1S/C16H21N5O6S2/c1-12-9-15(19-27-12)18-16(22)11-20-5-7-21(8-6-20)29(25,26)14-4-2-3-13(10-14)28(17,23)24/h2-4,9-10H,5-8,11H2,1H3,(H2,17,23,24)(H,18,19,22)/p+1