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

Systemtic Name: 4-[[2-(4-ethanoylpiperazin-1-yl)-2-oxidanylidene-ethyl]sulfonylmethyl]benzenecarbonitrile Openeye Name: 4-[[2-(4-acetylpiperazin-1-yl)-2-oxo-ethyl]sulfonylmethyl]benzonitrile CAS Name: 4-[[2-(4-acetyl-1-piperazinyl)-2-oxoethyl]sulfonylmethyl]benzonitrile IUPAC Name: 4-[[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]sulfonylmethyl]benzonitrile Traditional Name: 4-[[2-(4-acetylpiperazino)-2-keto-ethyl]sulfonylmethyl]benzonitrile Formula: C16H19N3O4S MolecularWeight: 349.40476

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)C(=O)CS(=O)(=O)CC2=CC=C(C=C2)C#N

Isomeric SMILES

CC(=O)N1CCN(CC1)C(=O)CS(=O)(=O)CC2=CC=C(C=C2)C#N

InChI

InChI=1S/C16H19N3O4S/c1-13(20)18-6-8-19(9-7-18)16(21)12-24(22,23)11-15-4-2-14(10-17)3-5-15/h2-5H,6-9,11-12H2,1H3