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

Systemtic Name: N-(5-chloranyl-2-methyl-phenyl)-2-[4-(1,5-dimethylpyrazol-4-yl)sulfonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: N-(5-chloro-2-methyl-phenyl)-2-[4-(1,5-dimethylpyrazol-4-yl)sulfonylpiperazin-1-ium-1-yl]acetamide CAS Name: N-(5-chloro-2-methylphenyl)-2-[4-[(1,5-dimethyl-4-pyrazolyl)sulfonyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(5-chloro-2-methylphenyl)-2-[4-(1,5-dimethylpyrazol-4-yl)sulfonylpiperazin-1-ium-1-yl]acetamide Traditional Name: N-(5-chloro-2-methyl-phenyl)-2-[4-(1,5-dimethylpyrazol-4-yl)sulfonylpiperazin-1-ium-1-yl]acetamide Formula: C18H25ClN5O3S+ MolecularWeight: 426.9408

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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=C(N(N=C3)C)C

Isomeric SMILES

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

InChI

InChI=1S/C18H24ClN5O3S/c1-13-4-5-15(19)10-16(13)21-18(25)12-23-6-8-24(9-7-23)28(26,27)17-11-20-22(3)14(17)2/h4-5,10-11H,6-9,12H2,1-3H3,(H,21,25)/p+1