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

Systemtic Name: 2-[4-(4-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]-N-(2-cyanophenyl)ethanamide Openeye Name: 2-[4-(4-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]-N-(2-cyanophenyl)acetamide CAS Name: 2-[4-(4-chlorophenyl)sulfonyl-1-piperazin-1-iumyl]-N-(2-cyanophenyl)acetamide IUPAC Name: 2-[4-(4-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]-N-(2-cyanophenyl)acetamide Traditional Name: 2-[4-(4-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]-N-(2-cyanophenyl)acetamide Formula: C19H20ClN4O3S+ MolecularWeight: 419.9051

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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(C=C3)Cl

Isomeric SMILES

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

InChI

InChI=1S/C19H19ClN4O3S/c20-16-5-7-17(8-6-16)28(26,27)24-11-9-23(10-12-24)14-19(25)22-18-4-2-1-3-15(18)13-21/h1-8H,9-12,14H2,(H,22,25)/p+1