3-pyridin-3-yl-1-[4-[2,3,4-tris(fluoranyl)phenyl]sulfonylpiperazin-1-yl]propan-1-one

Systemtic Name: 3-pyridin-3-yl-1-[4-[2,3,4-tris(fluoranyl)phenyl]sulfonylpiperazin-1-yl]propan-1-one Openeye Name: 3-(3-pyridyl)-1-[4-(2,3,4-trifluorophenyl)sulfonylpiperazin-1-yl]propan-1-one CAS Name: 3-(3-pyridinyl)-1-[4-(2,3,4-trifluorophenyl)sulfonyl-1-piperazinyl]-1-propanone IUPAC Name: 3-pyridin-3-yl-1-[4-(2,3,4-trifluorophenyl)sulfonylpiperazin-1-yl]propan-1-one Traditional Name: 3-(3-pyridyl)-1-[4-(2,3,4-trifluorophenyl)sulfonylpiperazino]propan-1-one Formula: C18H18F3N3O3S MolecularWeight: 413.41403

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CCC2=CN=CC=C2)S(=O)(=O)C3=C(C(=C(C=C3)F)F)F

Isomeric SMILES

C1CN(CCN1C(=O)CCC2=CN=CC=C2)S(=O)(=O)C3=C(C(=C(C=C3)F)F)F

InChI

InChI=1S/C18H18F3N3O3S/c19-14-4-5-15(18(21)17(14)20)28(26,27)24-10-8-23(9-11-24)16(25)6-3-13-2-1-7-22-12-13/h1-2,4-5,7,12H,3,6,8-11H2