ethyl 2-[4-(4-methylpiperazin-4-ium-1-yl)carbonyl-2-nitro-phenyl]sulfonylethanoate

Systemtic Name: ethyl 2-[4-(4-methylpiperazin-4-ium-1-yl)carbonyl-2-nitro-phenyl]sulfonylethanoate Openeye Name: ethyl 2-[4-(4-methylpiperazin-4-ium-1-carbonyl)-2-nitro-phenyl]sulfonylacetate CAS Name: 2-[4-[(4-methyl-1-piperazin-4-iumyl)-oxomethyl]-2-nitrophenyl]sulfonylacetic acid ethyl ester IUPAC Name: ethyl 2-[4-(4-methylpiperazin-4-ium-1-carbonyl)-2-nitrophenyl]sulfonylacetate Traditional Name: 2-[4-(4-methylpiperazin-4-ium-1-carbonyl)-2-nitro-phenyl]sulfonylacetic acid ethyl ester Formula: C16H22N3O7S+ MolecularWeight: 400.42678

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CS(=O)(=O)C1=C(C=C(C=C1)C(=O)N2CC[NH+](CC2)C)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)CS(=O)(=O)C1=C(C=C(C=C1)C(=O)N2CC[NH+](CC2)C)[N+](=O)[O-]

InChI

InChI=1S/C16H21N3O7S/c1-3-26-15(20)11-27(24,25)14-5-4-12(10-13(14)19(22)23)16(21)18-8-6-17(2)7-9-18/h4-5,10H,3,6-9,11H2,1-2H3/p+1