3-(4-methylphenyl)-1-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]propan-1-one

Systemtic Name: 3-(4-methylphenyl)-1-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]propan-1-one Openeye Name: 3-(p-tolyl)-1-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]propan-1-one CAS Name: 3-(4-methylphenyl)-1-[4-[4-(trifluoromethyl)phenyl]sulfonyl-1-piperazinyl]-1-propanone IUPAC Name: 3-(4-methylphenyl)-1-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]propan-1-one Traditional Name: 3-(p-tolyl)-1-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazino]propan-1-one Formula: C21H23F3N2O3S MolecularWeight: 440.47913

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23F3N2O3S/c1-16-2-4-17(5-3-16)6-11-20(27)25-12-14-26(15-13-25)30(28,29)19-9-7-18(8-10-19)21(22,23)24/h2-5,7-10H,6,11-15H2,1H3