ethyl 2-[4-[4-(2,3-dimethylphenyl)piperazin-1-yl]carbonyl-2-nitro-phenyl]sulfonylethanoate

Systemtic Name: ethyl 2-[4-[4-(2,3-dimethylphenyl)piperazin-1-yl]carbonyl-2-nitro-phenyl]sulfonylethanoate Openeye Name: ethyl 2-[4-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-2-nitro-phenyl]sulfonylacetate CAS Name: 2-[4-[[4-(2,3-dimethylphenyl)-1-piperazinyl]-oxomethyl]-2-nitrophenyl]sulfonylacetic acid ethyl ester IUPAC Name: ethyl 2-[4-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-2-nitrophenyl]sulfonylacetate Traditional Name: 2-[4-[4-(2,3-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=CC=CC(=C3C)C)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)CS(=O)(=O)C1=C(C=C(C=C1)C(=O)N2CCN(CC2)C3=CC=CC(=C3C)C)[N+](=O)[O-]

InChI

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