2-[4-(5-bromanylthiophen-2-yl)sulfonylpiperazin-1-ium-1-yl]-N-(2-cyanophenyl)ethanamide

Systemtic Name: 2-[4-(5-bromanylthiophen-2-yl)sulfonylpiperazin-1-ium-1-yl]-N-(2-cyanophenyl)ethanamide Openeye Name: 2-[4-[(5-bromo-2-thienyl)sulfonyl]piperazin-1-ium-1-yl]-N-(2-cyanophenyl)acetamide CAS Name: 2-[4-[(5-bromo-2-thiophenyl)sulfonyl]-1-piperazin-1-iumyl]-N-(2-cyanophenyl)acetamide IUPAC Name: 2-[4-(5-bromothiophen-2-yl)sulfonylpiperazin-1-ium-1-yl]-N-(2-cyanophenyl)acetamide Traditional Name: 2-[4-[(5-bromo-2-thienyl)sulfonyl]piperazin-1-ium-1-yl]-N-(2-cyanophenyl)acetamide Formula: C17H18BrN4O3S2+ MolecularWeight: 470.38382

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NC2=CC=CC=C2C#N)S(=O)(=O)C3=CC=C(S3)Br

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NC2=CC=CC=C2C#N)S(=O)(=O)C3=CC=C(S3)Br

InChI

InChI=1S/C17H17BrN4O3S2/c18-15-5-6-17(26-15)27(24,25)22-9-7-21(8-10-22)12-16(23)20-14-4-2-1-3-13(14)11-19/h1-6H,7-10,12H2,(H,20,23)/p+1