2-[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-[(Z)-1-pyridin-3-ylethylideneamino]ethanamide

Systemtic Name: 2-[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-[(Z)-1-pyridin-3-ylethylideneamino]ethanamide Openeye Name: 2-[4-(p-tolylsulfonyl)piperazin-1-ium-1-yl]-N-[(Z)-1-(3-pyridyl)ethylideneamino]acetamide CAS Name: 2-[4-(4-methylphenyl)sulfonyl-1-piperazin-1-iumyl]-N-[(Z)-1-(3-pyridinyl)ethylideneamino]acetamide IUPAC Name: 2-[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-[(Z)-1-pyridin-3-ylethylideneamino]acetamide Traditional Name: N-[(Z)-1-(3-pyridyl)ethylideneamino]-2-(4-tosylpiperazin-1-ium-1-yl)acetamide Formula: C20H26N5O3S+ MolecularWeight: 416.51714

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC(=O)NN=C(C)C3=CN=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C20H25N5O3S/c1-16-5-7-19(8-6-16)29(27,28)25-12-10-24(11-13-25)15-20(26)23-22-17(2)18-4-3-9-21-14-18/h3-9,14H,10-13,15H2,1-2H3,(H,23,26)/p+1/b22-17-