3-[[4-(4-tert-butylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 3-[[4-(4-tert-butylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]benzenecarbonitrile Openeye Name: 3-[[4-(4-tert-butylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]benzonitrile CAS Name: 3-[[4-(4-tert-butylphenyl)sulfonyl-1-piperazin-1-iumyl]methyl]benzonitrile IUPAC Name: 3-[[4-(4-tert-butylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]benzonitrile Traditional Name: 3-[[4-(4-tert-butylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]benzonitrile Formula: C22H28N3O2S+ MolecularWeight: 398.54162

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC3=CC=CC(=C3)C#N

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC3=CC=CC(=C3)C#N

InChI

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