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

Systemtic Name: 2-[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-[(E)-(2-nitrophenyl)methylideneamino]ethanamide Openeye Name: N-[(E)-(2-nitrophenyl)methyleneamino]-2-[4-(p-tolylsulfonyl)piperazin-1-ium-1-yl]acetamide CAS Name: 2-[4-(4-methylphenyl)sulfonyl-1-piperazin-1-iumyl]-N-[(E)-(2-nitrophenyl)methylideneamino]acetamide IUPAC Name: 2-[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-[(E)-(2-nitrophenyl)methylideneamino]acetamide Traditional Name: N-[(E)-(2-nitrobenzylidene)amino]-2-(4-tosylpiperazin-1-ium-1-yl)acetamide Formula: C20H24N5O5S+ MolecularWeight: 446.50006

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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[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C20H23N5O5S/c1-16-6-8-18(9-7-16)31(29,30)24-12-10-23(11-13-24)15-20(26)22-21-14-17-4-2-3-5-19(17)25(27)28/h2-9,14H,10-13,15H2,1H3,(H,22,26)/p+1/b21-14+