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

Systemtic Name: N-[(E)-(4-ethylphenyl)methylideneamino]-2-[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: N-[(E)-(4-ethylphenyl)methyleneamino]-2-[4-(p-tolylsulfonyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-[(E)-(4-ethylphenyl)methylideneamino]-2-[4-(4-methylphenyl)sulfonyl-1-piperazin-1-iumyl]acetamide IUPAC Name: N-[(E)-(4-ethylphenyl)methylideneamino]-2-[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]acetamide Traditional Name: N-[(E)-(4-ethylbenzylidene)amino]-2-(4-tosylpiperazin-1-ium-1-yl)acetamide Formula: C22H29N4O3S+ MolecularWeight: 429.55566

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C=NNC(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CCC1=CC=C(C=C1)/C=N/NC(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C22H28N4O3S/c1-3-19-6-8-20(9-7-19)16-23-24-22(27)17-25-12-14-26(15-13-25)30(28,29)21-10-4-18(2)5-11-21/h4-11,16H,3,12-15,17H2,1-2H3,(H,24,27)/p+1/b23-16+