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

Systemtic Name: 1-[4-(3,4-diethoxyphenyl)sulfonylpiperazin-1-yl]-2-[(4-fluorophenyl)methylsulfanyl]ethanone Openeye Name: 1-[4-(3,4-diethoxyphenyl)sulfonylpiperazin-1-yl]-2-[(4-fluorophenyl)methylsulfanyl]ethanone CAS Name: 1-[4-(3,4-diethoxyphenyl)sulfonyl-1-piperazinyl]-2-[(4-fluorophenyl)methylthio]ethanone IUPAC Name: 1-[4-(3,4-diethoxyphenyl)sulfonylpiperazin-1-yl]-2-[(4-fluorophenyl)methylsulfanyl]ethanone Traditional Name: 1-[4-(3,4-diethoxyphenyl)sulfonylpiperazino]-2-[(4-fluorobenzyl)thio]ethanone Formula: C23H29FN2O5S2 MolecularWeight: 496.615163

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CSCC3=CC=C(C=C3)F)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CSCC3=CC=C(C=C3)F)OCC

InChI

InChI=1S/C23H29FN2O5S2/c1-3-30-21-10-9-20(15-22(21)31-4-2)33(28,29)26-13-11-25(12-14-26)23(27)17-32-16-18-5-7-19(24)8-6-18/h5-10,15H,3-4,11-14,16-17H2,1-2H3