1-(4-fluorophenyl)-4-[2-methyl-4-(4-methylphenyl)sulfonyl-piperazin-1-yl]butan-1-one

Systemtic Name: 1-(4-fluorophenyl)-4-[2-methyl-4-(4-methylphenyl)sulfonyl-piperazin-1-yl]butan-1-one Openeye Name: 1-(4-fluorophenyl)-4-[2-methyl-4-(p-tolylsulfonyl)piperazin-1-yl]butan-1-one CAS Name: 1-(4-fluorophenyl)-4-[2-methyl-4-(4-methylphenyl)sulfonyl-1-piperazinyl]-1-butanone IUPAC Name: 1-(4-fluorophenyl)-4-[2-methyl-4-(4-methylphenyl)sulfonylpiperazin-1-yl]butan-1-one Traditional Name: 1-(4-fluorophenyl)-4-(2-methyl-4-tosyl-piperazino)butan-1-one Formula: C22H27FN2O3S MolecularWeight: 418.524783

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1CCCC(=O)C2=CC=C(C=C2)F)S(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CC1CN(CCN1CCCC(=O)C2=CC=C(C=C2)F)S(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C22H27FN2O3S/c1-17-5-11-21(12-6-17)29(27,28)25-15-14-24(18(2)16-25)13-3-4-22(26)19-7-9-20(23)10-8-19/h5-12,18H,3-4,13-16H2,1-2H3