N-(2,5-dimethylphenyl)-2-[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(2,5-dimethylphenyl)-2-[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: N-(2,5-dimethylphenyl)-2-[4-(p-tolylsulfonyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(2,5-dimethylphenyl)-2-[4-(4-methylphenyl)sulfonyl-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(2,5-dimethylphenyl)-2-[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]acetamide Traditional Name: N-(2,5-dimethylphenyl)-2-(4-tosylpiperazin-1-ium-1-yl)acetamide Formula: C21H28N3O3S+ MolecularWeight: 402.53032

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27N3O3S/c1-16-5-8-19(9-6-16)28(26,27)24-12-10-23(11-13-24)15-21(25)22-20-14-17(2)4-7-18(20)3/h4-9,14H,10-13,15H2,1-3H3,(H,22,25)/p+1