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

Systemtic Name: 2-[4-(4-bromophenyl)sulfonylpiperazin-1-ium-1-yl]-N-(4-cyanophenyl)ethanamide Openeye Name: 2-[4-(4-bromophenyl)sulfonylpiperazin-1-ium-1-yl]-N-(4-cyanophenyl)acetamide CAS Name: 2-[4-(4-bromophenyl)sulfonyl-1-piperazin-1-iumyl]-N-(4-cyanophenyl)acetamide IUPAC Name: 2-[4-(4-bromophenyl)sulfonylpiperazin-1-ium-1-yl]-N-(4-cyanophenyl)acetamide Traditional Name: 2-(4-brosylpiperazin-1-ium-1-yl)-N-(4-cyanophenyl)acetamide Formula: C19H20BrN4O3S+ MolecularWeight: 464.3561

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NC2=CC=C(C=C2)C#N)S(=O)(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NC2=CC=C(C=C2)C#N)S(=O)(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C19H19BrN4O3S/c20-16-3-7-18(8-4-16)28(26,27)24-11-9-23(10-12-24)14-19(25)22-17-5-1-15(13-21)2-6-17/h1-8H,9-12,14H2,(H,22,25)/p+1