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

Systemtic Name: 2-[[4-(4-ethanoylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]benzenecarbonitrile Openeye Name: 2-[[4-(4-acetylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]benzonitrile CAS Name: 2-[[4-(4-acetylphenyl)sulfonyl-1-piperazin-1-iumyl]methyl]benzonitrile IUPAC Name: 2-[[4-(4-acetylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]benzonitrile Traditional Name: 2-[[4-(4-acetylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]benzonitrile Formula: C20H22N3O3S+ MolecularWeight: 384.47198

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC3=CC=CC=C3C#N

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC3=CC=CC=C3C#N

InChI

InChI=1S/C20H21N3O3S/c1-16(24)17-6-8-20(9-7-17)27(25,26)23-12-10-22(11-13-23)15-19-5-3-2-4-18(19)14-21/h2-9H,10-13,15H2,1H3/p+1