2-(2,6-dimethylpyrimidin-4-yl)sulfanyl-1-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]ethanone

Systemtic Name: 2-(2,6-dimethylpyrimidin-4-yl)sulfanyl-1-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]ethanone Openeye Name: 2-(2,6-dimethylpyrimidin-4-yl)sulfanyl-1-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]ethanone CAS Name: 2-[(2,6-dimethyl-4-pyrimidinyl)thio]-1-[4-(3-fluorophenyl)sulfonyl-1-piperazinyl]ethanone IUPAC Name: 2-(2,6-dimethylpyrimidin-4-yl)sulfanyl-1-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]ethanone Traditional Name: 2-[(2,6-dimethylpyrimidin-4-yl)thio]-1-[4-(3-fluorophenyl)sulfonylpiperazino]ethanone Formula: C18H21FN4O3S2 MolecularWeight: 424.512743

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)C)SCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)F

Isomeric SMILES

CC1=CC(=NC(=N1)C)SCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)F

InChI

InChI=1S/C18H21FN4O3S2/c1-13-10-17(21-14(2)20-13)27-12-18(24)22-6-8-23(9-7-22)28(25,26)16-5-3-4-15(19)11-16/h3-5,10-11H,6-9,12H2,1-2H3