1-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-2-(2-methylphenyl)sulfanyl-ethanone

Systemtic Name: 1-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-2-(2-methylphenyl)sulfanyl-ethanone Openeye Name: 1-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-2-(o-tolylsulfanyl)ethanone CAS Name: 1-[4-(4-ethoxyphenyl)sulfonyl-1-piperazinyl]-2-[(2-methylphenyl)thio]ethanone IUPAC Name: 1-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-2-(2-methylphenyl)sulfanylethanone Traditional Name: 2-(o-tolylthio)-1-(4-p-phenetylsulfonylpiperazino)ethanone Formula: C21H26N2O4S2 MolecularWeight: 434.57214

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CSC3=CC=CC=C3C

Isomeric SMILES

CCOC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CSC3=CC=CC=C3C

InChI

InChI=1S/C21H26N2O4S2/c1-3-27-18-8-10-19(11-9-18)29(25,26)23-14-12-22(13-15-23)21(24)16-28-20-7-5-4-6-17(20)2/h4-11H,3,12-16H2,1-2H3