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

Systemtic Name: 2-[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]ethanamide Openeye Name: N-[(Z)-(4-benzyloxyphenyl)methyleneamino]-2-[4-(p-tolylsulfonyl)piperazin-1-ium-1-yl]acetamide CAS Name: 2-[4-(4-methylphenyl)sulfonyl-1-piperazin-1-iumyl]-N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]acetamide IUPAC Name: 2-[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]acetamide Traditional Name: N-[(Z)-(4-benzoxybenzylidene)amino]-2-(4-tosylpiperazin-1-ium-1-yl)acetamide Formula: C27H31N4O4S+ MolecularWeight: 507.62444

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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=C(C=C3)OCC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC(=O)N/N=C\C3=CC=C(C=C3)OCC4=CC=CC=C4

InChI

InChI=1S/C27H30N4O4S/c1-22-7-13-26(14-8-22)36(33,34)31-17-15-30(16-18-31)20-27(32)29-28-19-23-9-11-25(12-10-23)35-21-24-5-3-2-4-6-24/h2-14,19H,15-18,20-21H2,1H3,(H,29,32)/p+1/b28-19-