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

Systemtic Name: ethyl 2-[4-(4-ethylpiperazin-1-yl)carbonyl-2-nitro-phenyl]sulfonylethanoate Openeye Name: ethyl 2-[4-(4-ethylpiperazine-1-carbonyl)-2-nitro-phenyl]sulfonylacetate CAS Name: 2-[4-[(4-ethyl-1-piperazinyl)-oxomethyl]-2-nitrophenyl]sulfonylacetic acid ethyl ester IUPAC Name: ethyl 2-[4-(4-ethylpiperazine-1-carbonyl)-2-nitrophenyl]sulfonylacetate Traditional Name: 2-[4-(4-ethylpiperazine-1-carbonyl)-2-nitro-phenyl]sulfonylacetic acid ethyl ester Formula: C17H23N3O7S MolecularWeight: 413.44542

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C(=O)C2=CC(=C(C=C2)S(=O)(=O)CC(=O)OCC)[N+](=O)[O-]

Isomeric SMILES

CCN1CCN(CC1)C(=O)C2=CC(=C(C=C2)S(=O)(=O)CC(=O)OCC)[N+](=O)[O-]

InChI

InChI=1S/C17H23N3O7S/c1-3-18-7-9-19(10-8-18)17(22)13-5-6-15(14(11-13)20(23)24)28(25,26)12-16(21)27-4-2/h5-6,11H,3-4,7-10,12H2,1-2H3