N-[2-[4-(3-methylphenyl)piperazin-1-yl]sulfonylethyl]-2-methylsulfanyl-benzamide

Systemtic Name: N-[2-[4-(3-methylphenyl)piperazin-1-yl]sulfonylethyl]-2-methylsulfanyl-benzamide Openeye Name: 2-methylsulfanyl-N-[2-[4-(m-tolyl)piperazin-1-yl]sulfonylethyl]benzamide CAS Name: N-[2-[[4-(3-methylphenyl)-1-piperazinyl]sulfonyl]ethyl]-2-(methylthio)benzamide IUPAC Name: N-[2-[4-(3-methylphenyl)piperazin-1-yl]sulfonylethyl]-2-methylsulfanylbenzamide Traditional Name: 2-(methylthio)-N-[2-[4-(m-tolyl)piperazino]sulfonylethyl]benzamide Formula: C21H27N3O3S2 MolecularWeight: 433.58738

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2CCN(CC2)S(=O)(=O)CCNC(=O)C3=CC=CC=C3SC

Isomeric SMILES

CC1=CC(=CC=C1)N2CCN(CC2)S(=O)(=O)CCNC(=O)C3=CC=CC=C3SC

InChI

InChI=1S/C21H27N3O3S2/c1-17-6-5-7-18(16-17)23-11-13-24(14-12-23)29(26,27)15-10-22-21(25)19-8-3-4-9-20(19)28-2/h3-9,16H,10-15H2,1-2H3,(H,22,25)