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

Systemtic Name: N-(3-methyl-1,2-oxazol-5-yl)-2-[4-(phenylsulfonyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: 2-[4-(benzenesulfonyl)piperazin-1-ium-1-yl]-N-(3-methylisoxazol-5-yl)acetamide CAS Name: 2-[4-(benzenesulfonyl)-1-piperazin-1-iumyl]-N-(3-methyl-5-isoxazolyl)acetamide IUPAC Name: 2-[4-(benzenesulfonyl)piperazin-1-ium-1-yl]-N-(3-methyl-1,2-oxazol-5-yl)acetamide Traditional Name: 2-(4-besylpiperazin-1-ium-1-yl)-N-(3-methylisoxazol-5-yl)acetamide Formula: C16H21N4O4S+ MolecularWeight: 365.42734

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NOC(=C1)NC(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=NOC(=C1)NC(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

InChI

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