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

Systemtic Name: 2-[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-(2-methylsulfanylphenyl)ethanamide Openeye Name: N-(2-methylsulfanylphenyl)-2-[4-(p-tolylsulfonyl)piperazin-1-ium-1-yl]acetamide CAS Name: 2-[4-(4-methylphenyl)sulfonyl-1-piperazin-1-iumyl]-N-[2-(methylthio)phenyl]acetamide IUPAC Name: 2-[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-(2-methylsulfanylphenyl)acetamide Traditional Name: N-[2-(methylthio)phenyl]-2-(4-tosylpiperazin-1-ium-1-yl)acetamide Formula: C20H26N3O3S2+ MolecularWeight: 420.56874

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC(=O)NC3=CC=CC=C3SC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC(=O)NC3=CC=CC=C3SC

InChI

InChI=1S/C20H25N3O3S2/c1-16-7-9-17(10-8-16)28(25,26)23-13-11-22(12-14-23)15-20(24)21-18-5-3-4-6-19(18)27-2/h3-10H,11-15H2,1-2H3,(H,21,24)/p+1