2-[1-(3-fluorophenyl)ethylamino]-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethanone

Systemtic Name: 2-[1-(3-fluorophenyl)ethylamino]-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethanone Openeye Name: 2-[1-(3-fluorophenyl)ethylamino]-1-[4-(p-tolylsulfonyl)piperazin-1-yl]ethanone CAS Name: 2-[1-(3-fluorophenyl)ethylamino]-1-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]ethanone IUPAC Name: 2-[1-(3-fluorophenyl)ethylamino]-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethanone Traditional Name: 2-[1-(3-fluorophenyl)ethylamino]-1-(4-tosylpiperazino)ethanone Formula: C21H26FN3O3S MolecularWeight: 419.512843

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26FN3O3S/c1-16-6-8-20(9-7-16)29(27,28)25-12-10-24(11-13-25)21(26)15-23-17(2)18-4-3-5-19(22)14-18/h3-9,14,17,23H,10-13,15H2,1-2H3