2-[4-[[4-(3-ethanoylphenyl)sulfonylpiperazin-1-yl]methyl]phenyl]benzenecarbonitrile

Systemtic Name: 2-[4-[[4-(3-ethanoylphenyl)sulfonylpiperazin-1-yl]methyl]phenyl]benzenecarbonitrile Openeye Name: 2-[4-[[4-(3-acetylphenyl)sulfonylpiperazin-1-yl]methyl]phenyl]benzonitrile CAS Name: 2-[4-[[4-(3-acetylphenyl)sulfonyl-1-piperazinyl]methyl]phenyl]benzonitrile IUPAC Name: 2-[4-[[4-(3-acetylphenyl)sulfonylpiperazin-1-yl]methyl]phenyl]benzonitrile Traditional Name: 2-[4-[[4-(3-acetylphenyl)sulfonylpiperazino]methyl]phenyl]benzonitrile Formula: C26H25N3O3S MolecularWeight: 459.56

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CC=C1)S(=O)(=O)N2CCN(CC2)CC3=CC=C(C=C3)C4=CC=CC=C4C#N

Isomeric SMILES

CC(=O)C1=CC(=CC=C1)S(=O)(=O)N2CCN(CC2)CC3=CC=C(C=C3)C4=CC=CC=C4C#N

InChI

InChI=1S/C26H25N3O3S/c1-20(30)23-6-4-7-25(17-23)33(31,32)29-15-13-28(14-16-29)19-21-9-11-22(12-10-21)26-8-3-2-5-24(26)18-27/h2-12,17H,13-16,19H2,1H3