N-(5-chloranyl-2-methyl-phenyl)-2-[4-(1-methylpyrazol-4-yl)sulfonylpiperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(5-chloranyl-2-methyl-phenyl)-2-[4-(1-methylpyrazol-4-yl)sulfonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: N-(5-chloro-2-methyl-phenyl)-2-[4-(1-methylpyrazol-4-yl)sulfonylpiperazin-1-ium-1-yl]acetamide CAS Name: N-(5-chloro-2-methylphenyl)-2-[4-[(1-methyl-4-pyrazolyl)sulfonyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(5-chloro-2-methylphenyl)-2-[4-(1-methylpyrazol-4-yl)sulfonylpiperazin-1-ium-1-yl]acetamide Traditional Name: N-(5-chloro-2-methyl-phenyl)-2-[4-(1-methylpyrazol-4-yl)sulfonylpiperazin-1-ium-1-yl]acetamide Formula: C17H23ClN5O3S+ MolecularWeight: 412.91422

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22ClN5O3S/c1-13-3-4-14(18)9-16(13)20-17(24)12-22-5-7-23(8-6-22)27(25,26)15-10-19-21(2)11-15/h3-4,9-11H,5-8,12H2,1-2H3,(H,20,24)/p+1