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

Systemtic Name: 2-[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-[(E)-1-phenylethylideneamino]ethanamide Openeye Name: N-[(E)-1-phenylethylideneamino]-2-[4-(p-tolylsulfonyl)piperazin-1-ium-1-yl]acetamide CAS Name: 2-[4-(4-methylphenyl)sulfonyl-1-piperazin-1-iumyl]-N-[(E)-1-phenylethylideneamino]acetamide IUPAC Name: 2-[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-[(E)-1-phenylethylideneamino]acetamide Traditional Name: N-[(E)-1-phenylethylideneamino]-2-(4-tosylpiperazin-1-ium-1-yl)acetamide Formula: C21H27N4O3S+ MolecularWeight: 415.52908

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=C(C)C3=CC=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C21H26N4O3S/c1-17-8-10-20(11-9-17)29(27,28)25-14-12-24(13-15-25)16-21(26)23-22-18(2)19-6-4-3-5-7-19/h3-11H,12-16H2,1-2H3,(H,23,26)/p+1/b22-18+