N-(5-chloranyl-2-cyano-phenyl)-2-[4-(phenylsulfonyl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(5-chloranyl-2-cyano-phenyl)-2-[4-(phenylsulfonyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: 2-[4-(benzenesulfonyl)piperazin-1-ium-1-yl]-N-(5-chloro-2-cyano-phenyl)acetamide CAS Name: 2-[4-(benzenesulfonyl)-1-piperazin-1-iumyl]-N-(5-chloro-2-cyanophenyl)acetamide IUPAC Name: 2-[4-(benzenesulfonyl)piperazin-1-ium-1-yl]-N-(5-chloro-2-cyanophenyl)acetamide Traditional Name: 2-(4-besylpiperazin-1-ium-1-yl)-N-(5-chloro-2-cyano-phenyl)acetamide Formula: C19H20ClN4O3S+ MolecularWeight: 419.9051

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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