(E)-3-[2-(4-methylpiperazin-1-yl)phenyl]-2-methylsulfonyl-prop-2-enenitrile

Systemtic Name: (E)-3-[2-(4-methylpiperazin-1-yl)phenyl]-2-methylsulfonyl-prop-2-enenitrile Openeye Name: (E)-3-[2-(4-methylpiperazin-1-yl)phenyl]-2-methylsulfonyl-prop-2-enenitrile CAS Name: (E)-3-[2-(4-methyl-1-piperazinyl)phenyl]-2-methylsulfonyl-2-propenenitrile IUPAC Name: (E)-3-[2-(4-methylpiperazin-1-yl)phenyl]-2-methylsulfonylprop-2-enenitrile Traditional Name: (E)-2-mesyl-3-[2-(4-methylpiperazino)phenyl]acrylonitrile Formula: C15H19N3O2S MolecularWeight: 305.39526

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=CC=CC=C2C=C(C#N)S(=O)(=O)C

Isomeric SMILES

CN1CCN(CC1)C2=CC=CC=C2/C=C(\C#N)/S(=O)(=O)C

InChI

InChI=1S/C15H19N3O2S/c1-17-7-9-18(10-8-17)15-6-4-3-5-13(15)11-14(12-16)21(2,19)20/h3-6,11H,7-10H2,1-2H3/b14-11+