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

Systemtic Name: 2-[4-[[4-(4-cyanophenyl)sulfonylpiperazin-1-yl]methyl]phenyl]benzenecarbonitrile Openeye Name: 2-[4-[[4-(4-cyanophenyl)sulfonylpiperazin-1-yl]methyl]phenyl]benzonitrile CAS Name: 2-[4-[[4-(4-cyanophenyl)sulfonyl-1-piperazinyl]methyl]phenyl]benzonitrile IUPAC Name: 2-[4-[[4-(4-cyanophenyl)sulfonylpiperazin-1-yl]methyl]phenyl]benzonitrile Traditional Name: 2-[4-[[4-(4-cyanophenyl)sulfonylpiperazino]methyl]phenyl]benzonitrile Formula: C25H22N4O2S MolecularWeight: 442.53278

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=C(C=C2)C3=CC=CC=C3C#N)S(=O)(=O)C4=CC=C(C=C4)C#N

Isomeric SMILES

C1CN(CCN1CC2=CC=C(C=C2)C3=CC=CC=C3C#N)S(=O)(=O)C4=CC=C(C=C4)C#N

InChI

InChI=1S/C25H22N4O2S/c26-17-20-7-11-24(12-8-20)32(30,31)29-15-13-28(14-16-29)19-21-5-9-22(10-6-21)25-4-2-1-3-23(25)18-27/h1-12H,13-16,19H2