N-(2-cyanophenyl)-2-[4-(phenylsulfonyl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(2-cyanophenyl)-2-[4-(phenylsulfonyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: 2-[4-(benzenesulfonyl)piperazin-1-ium-1-yl]-N-(2-cyanophenyl)acetamide CAS Name: 2-[4-(benzenesulfonyl)-1-piperazin-1-iumyl]-N-(2-cyanophenyl)acetamide IUPAC Name: 2-[4-(benzenesulfonyl)piperazin-1-ium-1-yl]-N-(2-cyanophenyl)acetamide Traditional Name: 2-(4-besylpiperazin-1-ium-1-yl)-N-(2-cyanophenyl)acetamide Formula: C19H21N4O3S+ MolecularWeight: 385.46004

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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=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C19H20N4O3S/c20-14-16-6-4-5-9-18(16)21-19(24)15-22-10-12-23(13-11-22)27(25,26)17-7-2-1-3-8-17/h1-9H,10-13,15H2,(H,21,24)/p+1