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

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

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC=C1NC(=O)C[NH+]2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

CSC1=CC=CC=C1NC(=O)C[NH+]2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3

InChI

InChI=1S/C20H25N3O3S2/c1-27-19-10-6-5-9-18(19)21-20(24)15-22-11-13-23(14-12-22)28(25,26)16-17-7-3-2-4-8-17/h2-10H,11-16H2,1H3,(H,21,24)/p+1