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

Systemtic Name: 4-[[2-[4-(4-ethanoylphenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]sulfonylmethyl]benzenecarbonitrile Openeye Name: 4-[[2-[4-(4-acetylphenyl)piperazin-1-yl]-2-oxo-ethyl]sulfonylmethyl]benzonitrile CAS Name: 4-[[2-[4-(4-acetylphenyl)-1-piperazinyl]-2-oxoethyl]sulfonylmethyl]benzonitrile IUPAC Name: 4-[[2-[4-(4-acetylphenyl)piperazin-1-yl]-2-oxoethyl]sulfonylmethyl]benzonitrile Traditional Name: 4-[[2-[4-(4-acetylphenyl)piperazino]-2-keto-ethyl]sulfonylmethyl]benzonitrile Formula: C22H23N3O4S MolecularWeight: 425.50072

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)N2CCN(CC2)C(=O)CS(=O)(=O)CC3=CC=C(C=C3)C#N

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)N2CCN(CC2)C(=O)CS(=O)(=O)CC3=CC=C(C=C3)C#N

InChI

InChI=1S/C22H23N3O4S/c1-17(26)20-6-8-21(9-7-20)24-10-12-25(13-11-24)22(27)16-30(28,29)15-19-4-2-18(14-23)3-5-19/h2-9H,10-13,15-16H2,1H3