2-[[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 2-[[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]methyl]benzenecarbonitrile Openeye Name: 2-[[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]methyl]benzonitrile CAS Name: 2-[[4-(4-tert-butylphenyl)sulfonyl-1-piperazinyl]methyl]benzonitrile IUPAC Name: 2-[[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]methyl]benzonitrile Traditional Name: 2-[[4-(4-tert-butylphenyl)sulfonylpiperazino]methyl]benzonitrile Formula: C22H27N3O2S MolecularWeight: 397.53368

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CC3=CC=CC=C3C#N

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CC3=CC=CC=C3C#N

InChI

InChI=1S/C22H27N3O2S/c1-22(2,3)20-8-10-21(11-9-20)28(26,27)25-14-12-24(13-15-25)17-19-7-5-4-6-18(19)16-23/h4-11H,12-15,17H2,1-3H3