4-[[2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethyl]sulfonylmethyl]benzenecarbonitrile

Systemtic Name: 4-[[2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethyl]sulfonylmethyl]benzenecarbonitrile Openeye Name: 4-[[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfonylmethyl]benzonitrile CAS Name: 4-[[2-oxo-2-(4-phenyl-1-piperazinyl)ethyl]sulfonylmethyl]benzonitrile IUPAC Name: 4-[[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfonylmethyl]benzonitrile Traditional Name: 4-[[2-keto-2-(4-phenylpiperazino)ethyl]sulfonylmethyl]benzonitrile Formula: C20H21N3O3S MolecularWeight: 383.46404

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2)C(=O)CS(=O)(=O)CC3=CC=C(C=C3)C#N

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2)C(=O)CS(=O)(=O)CC3=CC=C(C=C3)C#N

InChI

InChI=1S/C20H21N3O3S/c21-14-17-6-8-18(9-7-17)15-27(25,26)16-20(24)23-12-10-22(11-13-23)19-4-2-1-3-5-19/h1-9H,10-13,15-16H2