3-(4-methylphenyl)-1-[4-[2-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]prop-2-en-1-one

Systemtic Name: 3-(4-methylphenyl)-1-[4-[2-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]prop-2-en-1-one Openeye Name: 3-(p-tolyl)-1-[4-[2-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]prop-2-en-1-one CAS Name: 3-(4-methylphenyl)-1-[4-[2-(trifluoromethyl)phenyl]sulfonyl-1-piperazinyl]-2-propen-1-one IUPAC Name: 3-(4-methylphenyl)-1-[4-[2-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]prop-2-en-1-one Traditional Name: 3-(p-tolyl)-1-[4-[2-(trifluoromethyl)phenyl]sulfonylpiperazino]prop-2-en-1-one Formula: C21H21F3N2O3S MolecularWeight: 438.46325

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C=CC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C(F)(F)F

Isomeric SMILES

CC1=CC=C(C=C1)C=CC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C(F)(F)F

InChI

InChI=1S/C21H21F3N2O3S/c1-16-6-8-17(9-7-16)10-11-20(27)25-12-14-26(15-13-25)30(28,29)19-5-3-2-4-18(19)21(22,23)24/h2-11H,12-15H2,1H3