2-[[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-ium-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 2-[[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-ium-1-yl]methyl]benzenecarbonitrile Openeye Name: 2-[[4-[(5-methyl-2-thienyl)sulfonyl]piperazin-1-ium-1-yl]methyl]benzonitrile CAS Name: 2-[[4-[(5-methyl-2-thiophenyl)sulfonyl]-1-piperazin-1-iumyl]methyl]benzonitrile IUPAC Name: 2-[[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-ium-1-yl]methyl]benzonitrile Traditional Name: 2-[[4-[(5-methyl-2-thienyl)sulfonyl]piperazin-1-ium-1-yl]methyl]benzonitrile Formula: C17H20N3O2S2+ MolecularWeight: 362.4896

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)S(=O)(=O)N2CC[NH+](CC2)CC3=CC=CC=C3C#N

Isomeric SMILES

CC1=CC=C(S1)S(=O)(=O)N2CC[NH+](CC2)CC3=CC=CC=C3C#N

InChI

InChI=1S/C17H19N3O2S2/c1-14-6-7-17(23-14)24(21,22)20-10-8-19(9-11-20)13-16-5-3-2-4-15(16)12-18/h2-7H,8-11,13H2,1H3/p+1