ethyl 2-[4-[4-(2,5-dimethylphenyl)piperazin-1-yl]carbonyl-2-nitro-phenyl]sulfonylethanoate

Systemtic Name: ethyl 2-[4-[4-(2,5-dimethylphenyl)piperazin-1-yl]carbonyl-2-nitro-phenyl]sulfonylethanoate Openeye Name: ethyl 2-[4-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]-2-nitro-phenyl]sulfonylacetate CAS Name: 2-[4-[[4-(2,5-dimethylphenyl)-1-piperazinyl]-oxomethyl]-2-nitrophenyl]sulfonylacetic acid ethyl ester IUPAC Name: ethyl 2-[4-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]-2-nitrophenyl]sulfonylacetate Traditional Name: 2-[4-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]-2-nitro-phenyl]sulfonylacetic acid ethyl ester Formula: C23H27N3O7S MolecularWeight: 489.54138

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CS(=O)(=O)C1=C(C=C(C=C1)C(=O)N2CCN(CC2)C3=C(C=CC(=C3)C)C)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)CS(=O)(=O)C1=C(C=C(C=C1)C(=O)N2CCN(CC2)C3=C(C=CC(=C3)C)C)[N+](=O)[O-]

InChI

InChI=1S/C23H27N3O7S/c1-4-33-22(27)15-34(31,32)21-8-7-18(14-20(21)26(29)30)23(28)25-11-9-24(10-12-25)19-13-16(2)5-6-17(19)3/h5-8,13-14H,4,9-12,15H2,1-3H3