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

Systemtic Name: 1-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]-2-phenethylsulfanyl-ethanone Openeye Name: 1-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]-2-phenethylsulfanyl-ethanone CAS Name: 1-[4-(3,4-dimethoxyphenyl)sulfonyl-1-piperazinyl]-2-(phenethylthio)ethanone IUPAC Name: 1-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]-2-phenethylsulfanylethanone Traditional Name: 1-[4-(3,4-dimethoxyphenyl)sulfonylpiperazino]-2-(phenethylthio)ethanone Formula: C22H28N2O5S2 MolecularWeight: 464.59812

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CSCCC3=CC=CC=C3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CSCCC3=CC=CC=C3)OC

InChI

InChI=1S/C22H28N2O5S2/c1-28-20-9-8-19(16-21(20)29-2)31(26,27)24-13-11-23(12-14-24)22(25)17-30-15-10-18-6-4-3-5-7-18/h3-9,16H,10-15,17H2,1-2H3