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

Systemtic Name: N-(4-cyanophenyl)-2-[4-(phenylmethyl)sulfonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: 2-(4-benzylsulfonylpiperazin-1-ium-1-yl)-N-(4-cyanophenyl)acetamide CAS Name: N-(4-cyanophenyl)-2-[4-(phenylmethyl)sulfonyl-1-piperazin-1-iumyl]acetamide IUPAC Name: 2-(4-benzylsulfonylpiperazin-1-ium-1-yl)-N-(4-cyanophenyl)acetamide Traditional Name: 2-(4-benzylsulfonylpiperazin-1-ium-1-yl)-N-(4-cyanophenyl)acetamide Formula: C20H23N4O3S+ MolecularWeight: 399.48662

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NC2=CC=C(C=C2)C#N)S(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NC2=CC=C(C=C2)C#N)S(=O)(=O)CC3=CC=CC=C3

InChI

InChI=1S/C20H22N4O3S/c21-14-17-6-8-19(9-7-17)22-20(25)15-23-10-12-24(13-11-23)28(26,27)16-18-4-2-1-3-5-18/h1-9H,10-13,15-16H2,(H,22,25)/p+1