N-[4-[4-[(4-methylsulfanylphenyl)methyl]piperazin-4-ium-1-yl]sulfonylphenyl]ethanamide

Systemtic Name: N-[4-[4-[(4-methylsulfanylphenyl)methyl]piperazin-4-ium-1-yl]sulfonylphenyl]ethanamide Openeye Name: N-[4-[4-[(4-methylsulfanylphenyl)methyl]piperazin-4-ium-1-yl]sulfonylphenyl]acetamide CAS Name: N-[4-[[4-[[4-(methylthio)phenyl]methyl]-1-piperazin-4-iumyl]sulfonyl]phenyl]acetamide IUPAC Name: N-[4-[4-[(4-methylsulfanylphenyl)methyl]piperazin-4-ium-1-yl]sulfonylphenyl]acetamide Traditional Name: N-[4-[4-[4-(methylthio)benzyl]piperazin-4-ium-1-yl]sulfonylphenyl]acetamide Formula: C20H26N3O3S2+ MolecularWeight: 420.56874

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC3=CC=C(C=C3)SC

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC3=CC=C(C=C3)SC

InChI

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