3-[2-[4-[2-(2-cyano-2-methylsulfonyl-ethenyl)phenyl]piperazin-1-yl]phenyl]-2-methylsulfonyl-prop-2-enenitrile

Systemtic Name: 3-[2-[4-[2-(2-cyano-2-methylsulfonyl-ethenyl)phenyl]piperazin-1-yl]phenyl]-2-methylsulfonyl-prop-2-enenitrile Openeye Name: 3-[2-[4-[2-(2-cyano-2-methylsulfonyl-vinyl)phenyl]piperazin-1-yl]phenyl]-2-methylsulfonyl-prop-2-enenitrile CAS Name: 3-[2-[4-[2-(2-cyano-2-methylsulfonylethenyl)phenyl]-1-piperazinyl]phenyl]-2-methylsulfonyl-2-propenenitrile IUPAC Name: 3-[2-[4-[2-(2-cyano-2-methylsulfonylethenyl)phenyl]piperazin-1-yl]phenyl]-2-methylsulfonylprop-2-enenitrile Traditional Name: 3-[2-[4-[2-(2-cyano-2-mesyl-vinyl)phenyl]piperazino]phenyl]-2-mesyl-acrylonitrile Formula: C24H24N4O4S2 MolecularWeight: 496.60176

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C(=CC1=CC=CC=C1N2CCN(CC2)C3=CC=CC=C3C=C(C#N)S(=O)(=O)C)C#N

Isomeric SMILES

CS(=O)(=O)C(=CC1=CC=CC=C1N2CCN(CC2)C3=CC=CC=C3C=C(C#N)S(=O)(=O)C)C#N

InChI

InChI=1S/C24H24N4O4S2/c1-33(29,30)21(17-25)15-19-7-3-5-9-23(19)27-11-13-28(14-12-27)24-10-6-4-8-20(24)16-22(18-26)34(2,31)32/h3-10,15-16H,11-14H2,1-2H3