1-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]-2-(4-methylphenyl)sulfanyl-ethanone

Systemtic Name: 1-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]-2-(4-methylphenyl)sulfanyl-ethanone Openeye Name: 1-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]-2-(p-tolylsulfanyl)ethanone CAS Name: 1-[4-(3,4-dimethoxyphenyl)sulfonyl-1-piperazinyl]-2-[(4-methylphenyl)thio]ethanone IUPAC Name: 1-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]-2-(4-methylphenyl)sulfanylethanone Traditional Name: 1-[4-(3,4-dimethoxyphenyl)sulfonylpiperazino]-2-(p-tolylthio)ethanone Formula: C21H26N2O5S2 MolecularWeight: 450.57154

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CC1=CC=C(C=C1)SCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C21H26N2O5S2/c1-16-4-6-17(7-5-16)29-15-21(24)22-10-12-23(13-11-22)30(25,26)18-8-9-19(27-2)20(14-18)28-3/h4-9,14H,10-13,15H2,1-3H3