N-[(E)-(3-methoxyphenyl)methylideneamino]-2-[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-[(E)-(3-methoxyphenyl)methylideneamino]-2-[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: N-[(E)-(3-methoxyphenyl)methyleneamino]-2-[4-(p-tolylsulfonyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-[(E)-(3-methoxyphenyl)methylideneamino]-2-[4-(4-methylphenyl)sulfonyl-1-piperazin-1-iumyl]acetamide IUPAC Name: N-[(E)-(3-methoxyphenyl)methylideneamino]-2-[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]acetamide Traditional Name: N-[(E)-m-anisylideneamino]-2-(4-tosylpiperazin-1-ium-1-yl)acetamide Formula: C21H27N4O4S+ MolecularWeight: 431.52848

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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=C3)OC

Isomeric SMILES

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

InChI

InChI=1S/C21H26N4O4S/c1-17-6-8-20(9-7-17)30(27,28)25-12-10-24(11-13-25)16-21(26)23-22-15-18-4-3-5-19(14-18)29-2/h3-9,14-15H,10-13,16H2,1-2H3,(H,23,26)/p+1/b22-15+