N-(4-methylphenyl)-2-[4-(1-methylpyrazol-4-yl)sulfonylpiperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(4-methylphenyl)-2-[4-(1-methylpyrazol-4-yl)sulfonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: 2-[4-(1-methylpyrazol-4-yl)sulfonylpiperazin-1-ium-1-yl]-N-(p-tolyl)acetamide CAS Name: N-(4-methylphenyl)-2-[4-[(1-methyl-4-pyrazolyl)sulfonyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(4-methylphenyl)-2-[4-(1-methylpyrazol-4-yl)sulfonylpiperazin-1-ium-1-yl]acetamide Traditional Name: 2-[4-(1-methylpyrazol-4-yl)sulfonylpiperazin-1-ium-1-yl]-N-(p-tolyl)acetamide Formula: C17H24N5O3S+ MolecularWeight: 378.46916

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H23N5O3S/c1-14-3-5-15(6-4-14)19-17(23)13-21-7-9-22(10-8-21)26(24,25)16-11-18-20(2)12-16/h3-6,11-12H,7-10,13H2,1-2H3,(H,19,23)/p+1