2-[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-[(E)-(phenylmethylidene)amino]ethanamide

Systemtic Name: 2-[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-[(E)-(phenylmethylidene)amino]ethanamide Openeye Name: N-[(E)-benzylideneamino]-2-[4-(p-tolylsulfonyl)piperazin-1-ium-1-yl]acetamide CAS Name: 2-[4-(4-methylphenyl)sulfonyl-1-piperazin-1-iumyl]-N-[(E)-(phenylmethylene)amino]acetamide IUPAC Name: N-[(E)-benzylideneamino]-2-[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]acetamide Traditional Name: N-[(E)-benzalamino]-2-(4-tosylpiperazin-1-ium-1-yl)acetamide Formula: C20H25N4O3S+ MolecularWeight: 401.5025

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC(=O)NN=CC3=CC=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C20H24N4O3S/c1-17-7-9-19(10-8-17)28(26,27)24-13-11-23(12-14-24)16-20(25)22-21-15-18-5-3-2-4-6-18/h2-10,15H,11-14,16H2,1H3,(H,22,25)/p+1/b21-15+