2-[4-[(5-bromanylthiophen-2-yl)methyl]piperazin-4-ium-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 2-[4-[(5-bromanylthiophen-2-yl)methyl]piperazin-4-ium-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 2-[4-[(5-bromo-2-thienyl)methyl]piperazin-4-ium-1-yl]sulfonylbenzonitrile CAS Name: 2-[[4-[(5-bromo-2-thiophenyl)methyl]-1-piperazin-4-iumyl]sulfonyl]benzonitrile IUPAC Name: 2-[4-[(5-bromothiophen-2-yl)methyl]piperazin-4-ium-1-yl]sulfonylbenzonitrile Traditional Name: 2-[4-[(5-bromo-2-thienyl)methyl]piperazin-4-ium-1-yl]sulfonylbenzonitrile Formula: C16H17BrN3O2S2+ MolecularWeight: 427.35908

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=C(S2)Br)S(=O)(=O)C3=CC=CC=C3C#N

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=C(S2)Br)S(=O)(=O)C3=CC=CC=C3C#N

InChI

InChI=1S/C16H16BrN3O2S2/c17-16-6-5-14(23-16)12-19-7-9-20(10-8-19)24(21,22)15-4-2-1-3-13(15)11-18/h1-6H,7-10,12H2/p+1