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

Systemtic Name: (E)-3-[4-(3-chlorophenyl)piperazin-1-yl]-2-(4-methylphenyl)sulfonyl-prop-2-enenitrile Openeye Name: (E)-3-[4-(3-chlorophenyl)piperazin-1-yl]-2-(p-tolylsulfonyl)prop-2-enenitrile CAS Name: (E)-3-[4-(3-chlorophenyl)-1-piperazinyl]-2-(4-methylphenyl)sulfonyl-2-propenenitrile IUPAC Name: (E)-3-[4-(3-chlorophenyl)piperazin-1-yl]-2-(4-methylphenyl)sulfonylprop-2-enenitrile Traditional Name: (E)-3-[4-(3-chlorophenyl)piperazino]-2-tosyl-acrylonitrile Formula: C20H20ClN3O2S MolecularWeight: 401.9097

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20ClN3O2S/c1-16-5-7-19(8-6-16)27(25,26)20(14-22)15-23-9-11-24(12-10-23)18-4-2-3-17(21)13-18/h2-8,13,15H,9-12H2,1H3/b20-15+