3-[4-(4-ethanoylphenyl)piperazin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 3-[4-(4-ethanoylphenyl)piperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 3-[4-(4-acetylphenyl)piperazin-1-yl]sulfonylbenzonitrile CAS Name: 3-[[4-(4-acetylphenyl)-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 3-[4-(4-acetylphenyl)piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 3-[4-(4-acetylphenyl)piperazino]sulfonylbenzonitrile Formula: C19H19N3O3S MolecularWeight: 369.43746

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19N3O3S/c1-15(23)17-5-7-18(8-6-17)21-9-11-22(12-10-21)26(24,25)19-4-2-3-16(13-19)14-20/h2-8,13H,9-12H2,1H3