1-[3-fluoranyl-4-[(3S)-3-methyl-4-(4-methylphenyl)sulfonyl-piperazin-1-yl]phenyl]ethanone

Systemtic Name: 1-[3-fluoranyl-4-[(3S)-3-methyl-4-(4-methylphenyl)sulfonyl-piperazin-1-yl]phenyl]ethanone Openeye Name: 1-[3-fluoro-4-[(3S)-3-methyl-4-(p-tolylsulfonyl)piperazin-1-yl]phenyl]ethanone CAS Name: 1-[3-fluoro-4-[(3S)-3-methyl-4-(4-methylphenyl)sulfonyl-1-piperazinyl]phenyl]ethanone IUPAC Name: 1-[3-fluoro-4-[(3S)-3-methyl-4-(4-methylphenyl)sulfonylpiperazin-1-yl]phenyl]ethanone Traditional Name: 1-[3-fluoro-4-[(3S)-3-methyl-4-tosyl-piperazino]phenyl]ethanone Formula: C20H23FN2O3S MolecularWeight: 390.471623

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1S(=O)(=O)C2=CC=C(C=C2)C)C3=C(C=C(C=C3)C(=O)C)F

Isomeric SMILES

C[C@H]1CN(CCN1S(=O)(=O)C2=CC=C(C=C2)C)C3=C(C=C(C=C3)C(=O)C)F

InChI

InChI=1S/C20H23FN2O3S/c1-14-4-7-18(8-5-14)27(25,26)23-11-10-22(13-15(23)2)20-9-6-17(16(3)24)12-19(20)21/h4-9,12,15H,10-11,13H2,1-3H3/t15-/m0/s1