2-[4-(4-bromophenyl)sulfonylpiperazin-1-ium-1-yl]-N-(3-cyanophenyl)ethanamide

Systemtic Name: 2-[4-(4-bromophenyl)sulfonylpiperazin-1-ium-1-yl]-N-(3-cyanophenyl)ethanamide Openeye Name: 2-[4-(4-bromophenyl)sulfonylpiperazin-1-ium-1-yl]-N-(3-cyanophenyl)acetamide CAS Name: 2-[4-(4-bromophenyl)sulfonyl-1-piperazin-1-iumyl]-N-(3-cyanophenyl)acetamide IUPAC Name: 2-[4-(4-bromophenyl)sulfonylpiperazin-1-ium-1-yl]-N-(3-cyanophenyl)acetamide Traditional Name: 2-(4-brosylpiperazin-1-ium-1-yl)-N-(3-cyanophenyl)acetamide Formula: C19H20BrN4O3S+ MolecularWeight: 464.3561

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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