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

Systemtic Name: 1-[4-(3,4-diethoxyphenyl)sulfonylpiperazin-1-yl]-2-phenethylsulfanyl-ethanone Openeye Name: 1-[4-(3,4-diethoxyphenyl)sulfonylpiperazin-1-yl]-2-phenethylsulfanyl-ethanone CAS Name: 1-[4-(3,4-diethoxyphenyl)sulfonyl-1-piperazinyl]-2-(phenethylthio)ethanone IUPAC Name: 1-[4-(3,4-diethoxyphenyl)sulfonylpiperazin-1-yl]-2-phenethylsulfanylethanone Traditional Name: 1-[4-(3,4-diethoxyphenyl)sulfonylpiperazino]-2-(phenethylthio)ethanone Formula: C24H32N2O5S2 MolecularWeight: 492.65128

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CSCCC3=CC=CC=C3)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CSCCC3=CC=CC=C3)OCC

InChI

InChI=1S/C24H32N2O5S2/c1-3-30-22-11-10-21(18-23(22)31-4-2)33(28,29)26-15-13-25(14-16-26)24(27)19-32-17-12-20-8-6-5-7-9-20/h5-11,18H,3-4,12-17,19H2,1-2H3