2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-N-(3-methylsulfanylphenyl)ethanamide

Systemtic Name: 2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-N-(3-methylsulfanylphenyl)ethanamide Openeye Name: N-(3-methylsulfanylphenyl)-2-[4-(p-tolylsulfonyl)piperazin-1-yl]acetamide CAS Name: 2-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]-N-[3-(methylthio)phenyl]acetamide IUPAC Name: 2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-N-(3-methylsulfanylphenyl)acetamide Traditional Name: N-[3-(methylthio)phenyl]-2-(4-tosylpiperazino)acetamide Formula: C20H25N3O3S2 MolecularWeight: 419.5608

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CC(=O)NC3=CC(=CC=C3)SC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CC(=O)NC3=CC(=CC=C3)SC

InChI

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