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

Systemtic Name: 2-[4-[4-(2-methylbutan-2-yl)phenyl]sulfonylpiperazin-1-yl]benzenecarbonitrile Openeye Name: 2-[4-[4-(1,1-dimethylpropyl)phenyl]sulfonylpiperazin-1-yl]benzonitrile CAS Name: 2-[4-[4-(2-methylbutan-2-yl)phenyl]sulfonyl-1-piperazinyl]benzonitrile IUPAC Name: 2-[4-[4-(2-methylbutan-2-yl)phenyl]sulfonylpiperazin-1-yl]benzonitrile Traditional Name: 2-[4-(4-tert-amylphenyl)sulfonylpiperazino]benzonitrile Formula: C22H27N3O2S MolecularWeight: 397.53368

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=CC=CC=C3C#N

Isomeric SMILES

CCC(C)(C)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=CC=CC=C3C#N

InChI

InChI=1S/C22H27N3O2S/c1-4-22(2,3)19-9-11-20(12-10-19)28(26,27)25-15-13-24(14-16-25)21-8-6-5-7-18(21)17-23/h5-12H,4,13-16H2,1-3H3