N-(3-cyanophenyl)-2-[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(3-cyanophenyl)-2-[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: N-(3-cyanophenyl)-2-[4-(p-tolylsulfonyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(3-cyanophenyl)-2-[4-(4-methylphenyl)sulfonyl-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(3-cyanophenyl)-2-[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]acetamide Traditional Name: N-(3-cyanophenyl)-2-(4-tosylpiperazin-1-ium-1-yl)acetamide Formula: C20H23N4O3S+ MolecularWeight: 399.48662

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC(=O)NC3=CC=CC(=C3)C#N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC(=O)NC3=CC=CC(=C3)C#N

InChI

InChI=1S/C20H22N4O3S/c1-16-5-7-19(8-6-16)28(26,27)24-11-9-23(10-12-24)15-20(25)22-18-4-2-3-17(13-18)14-21/h2-8,13H,9-12,15H2,1H3,(H,22,25)/p+1