(E)-3-[4-(4-fluorophenyl)piperazin-1-yl]-2-(4-methylphenyl)sulfonyl-prop-2-enenitrile

Systemtic Name: (E)-3-[4-(4-fluorophenyl)piperazin-1-yl]-2-(4-methylphenyl)sulfonyl-prop-2-enenitrile Openeye Name: (E)-3-[4-(4-fluorophenyl)piperazin-1-yl]-2-(p-tolylsulfonyl)prop-2-enenitrile CAS Name: (E)-3-[4-(4-fluorophenyl)-1-piperazinyl]-2-(4-methylphenyl)sulfonyl-2-propenenitrile IUPAC Name: (E)-3-[4-(4-fluorophenyl)piperazin-1-yl]-2-(4-methylphenyl)sulfonylprop-2-enenitrile Traditional Name: (E)-3-[4-(4-fluorophenyl)piperazino]-2-tosyl-acrylonitrile Formula: C20H20FN3O2S MolecularWeight: 385.455103

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C(=CN2CCN(CC2)C3=CC=C(C=C3)F)C#N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)/C(=C/N2CCN(CC2)C3=CC=C(C=C3)F)/C#N

InChI

InChI=1S/C20H20FN3O2S/c1-16-2-8-19(9-3-16)27(25,26)20(14-22)15-23-10-12-24(13-11-23)18-6-4-17(21)5-7-18/h2-9,15H,10-13H2,1H3/b20-15+