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

Systemtic Name: 2-[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-[(E)-1-(4-nitrophenyl)ethylideneamino]ethanamide Openeye Name: N-[(E)-1-(4-nitrophenyl)ethylideneamino]-2-[4-(p-tolylsulfonyl)piperazin-1-ium-1-yl]acetamide CAS Name: 2-[4-(4-methylphenyl)sulfonyl-1-piperazin-1-iumyl]-N-[(E)-1-(4-nitrophenyl)ethylideneamino]acetamide IUPAC Name: 2-[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-[(E)-1-(4-nitrophenyl)ethylideneamino]acetamide Traditional Name: N-[(E)-1-(4-nitrophenyl)ethylideneamino]-2-(4-tosylpiperazin-1-ium-1-yl)acetamide Formula: C21H26N5O5S+ MolecularWeight: 460.52664

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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=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C21H25N5O5S/c1-16-3-9-20(10-4-16)32(30,31)25-13-11-24(12-14-25)15-21(27)23-22-17(2)18-5-7-19(8-6-18)26(28)29/h3-10H,11-15H2,1-2H3,(H,23,27)/p+1/b22-17+