1-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-(4-fluorophenyl)sulfanyl-ethanone

Systemtic Name: 1-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-(4-fluorophenyl)sulfanyl-ethanone Openeye Name: 1-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-(4-fluorophenyl)sulfanyl-ethanone CAS Name: 1-[4-(3,4-dimethylphenyl)sulfonyl-1-piperazinyl]-2-[(4-fluorophenyl)thio]ethanone IUPAC Name: 1-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-(4-fluorophenyl)sulfanylethanone Traditional Name: 1-[4-(3,4-dimethylphenyl)sulfonylpiperazino]-2-[(4-fluorophenyl)thio]ethanone Formula: C20H23FN2O3S2 MolecularWeight: 422.536623

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CSC3=CC=C(C=C3)F)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CSC3=CC=C(C=C3)F)C

InChI

InChI=1S/C20H23FN2O3S2/c1-15-3-8-19(13-16(15)2)28(25,26)23-11-9-22(10-12-23)20(24)14-27-18-6-4-17(21)5-7-18/h3-8,13H,9-12,14H2,1-2H3