4-[[4-[(E)-2-(4-chlorophenyl)ethenyl]sulfonyl-2-oxidanylidene-piperazin-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[4-[(E)-2-(4-chlorophenyl)ethenyl]sulfonyl-2-oxidanylidene-piperazin-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-[(E)-2-(4-chlorophenyl)vinyl]sulfonyl-2-oxo-piperazin-1-yl]methyl]benzonitrile CAS Name: 4-[[4-[(E)-2-(4-chlorophenyl)ethenyl]sulfonyl-2-oxo-1-piperazinyl]methyl]benzonitrile IUPAC Name: 4-[[4-[(E)-2-(4-chlorophenyl)ethenyl]sulfonyl-2-oxopiperazin-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-[(E)-2-(4-chlorophenyl)vinyl]sulfonyl-2-keto-piperazino]methyl]benzonitrile Formula: C20H18ClN3O3S MolecularWeight: 415.89322

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(=O)CN1S(=O)(=O)C=CC2=CC=C(C=C2)Cl)CC3=CC=C(C=C3)C#N

Isomeric SMILES

C1CN(C(=O)CN1S(=O)(=O)/C=C/C2=CC=C(C=C2)Cl)CC3=CC=C(C=C3)C#N

InChI

InChI=1S/C20H18ClN3O3S/c21-19-7-5-16(6-8-19)9-12-28(26,27)24-11-10-23(20(25)15-24)14-18-3-1-17(13-22)2-4-18/h1-9,12H,10-11,14-15H2/b12-9+