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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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