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

Systemtic Name: 2-[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-(1,2-oxazol-3-yl)ethanamide Openeye Name: N-isoxazol-3-yl-2-[4-(p-tolylsulfonyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(3-isoxazolyl)-2-[4-(4-methylphenyl)sulfonyl-1-piperazin-1-iumyl]acetamide IUPAC Name: 2-[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-(1,2-oxazol-3-yl)acetamide Traditional Name: N-isoxazol-3-yl-2-(4-tosylpiperazin-1-ium-1-yl)acetamide Formula: C16H21N4O4S+ MolecularWeight: 365.42734

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC(=O)NC3=NOC=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC(=O)NC3=NOC=C3

InChI

InChI=1S/C16H20N4O4S/c1-13-2-4-14(5-3-13)25(22,23)20-9-7-19(8-10-20)12-16(21)17-15-6-11-24-18-15/h2-6,11H,7-10,12H2,1H3,(H,17,18,21)/p+1