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

Systemtic Name: N-(3-methylsulfanylphenyl)-2-[4-(phenylmethyl)sulfonylpiperazin-1-yl]ethanamide Openeye Name: 2-(4-benzylsulfonylpiperazin-1-yl)-N-(3-methylsulfanylphenyl)acetamide CAS Name: N-[3-(methylthio)phenyl]-2-[4-(phenylmethyl)sulfonyl-1-piperazinyl]acetamide IUPAC Name: 2-(4-benzylsulfonylpiperazin-1-yl)-N-(3-methylsulfanylphenyl)acetamide Traditional Name: 2-(4-benzylsulfonylpiperazino)-N-[3-(methylthio)phenyl]acetamide Formula: C20H25N3O3S2 MolecularWeight: 419.5608

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC(=C1)NC(=O)CN2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

CSC1=CC=CC(=C1)NC(=O)CN2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3

InChI

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