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

Systemtic Name: 2-[4-(4-cyanophenyl)sulfonylpiperazin-1-ium-1-yl]-N-[2-(phenylmethyl)phenyl]ethanamide Openeye Name: N-(2-benzylphenyl)-2-[4-(4-cyanophenyl)sulfonylpiperazin-1-ium-1-yl]acetamide CAS Name: 2-[4-(4-cyanophenyl)sulfonyl-1-piperazin-1-iumyl]-N-[2-(phenylmethyl)phenyl]acetamide IUPAC Name: N-(2-benzylphenyl)-2-[4-(4-cyanophenyl)sulfonylpiperazin-1-ium-1-yl]acetamide Traditional Name: N-(2-benzylphenyl)-2-[4-(4-cyanophenyl)sulfonylpiperazin-1-ium-1-yl]acetamide Formula: C26H27N4O3S+ MolecularWeight: 475.58258

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NC2=CC=CC=C2CC3=CC=CC=C3)S(=O)(=O)C4=CC=C(C=C4)C#N

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NC2=CC=CC=C2CC3=CC=CC=C3)S(=O)(=O)C4=CC=C(C=C4)C#N

InChI

InChI=1S/C26H26N4O3S/c27-19-22-10-12-24(13-11-22)34(32,33)30-16-14-29(15-17-30)20-26(31)28-25-9-5-4-8-23(25)18-21-6-2-1-3-7-21/h1-13H,14-18,20H2,(H,28,31)/p+1