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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC(=O)NN=CC3=CC=CC=C3C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC(=O)N/N=C/C3=CC=CC=C3C

InChI

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