methyl 2-[4,5-dimethoxy-2-(4-pyridin-2-ylpiperazin-1-yl)sulfonyl-phenyl]ethanoate

Systemtic Name: methyl 2-[4,5-dimethoxy-2-(4-pyridin-2-ylpiperazin-1-yl)sulfonyl-phenyl]ethanoate Openeye Name: methyl 2-[4,5-dimethoxy-2-[4-(2-pyridyl)piperazin-1-yl]sulfonyl-phenyl]acetate CAS Name: 2-[4,5-dimethoxy-2-[[4-(2-pyridinyl)-1-piperazinyl]sulfonyl]phenyl]acetic acid methyl ester IUPAC Name: methyl 2-[4,5-dimethoxy-2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylphenyl]acetate Traditional Name: 2-[4,5-dimethoxy-2-[4-(2-pyridyl)piperazino]sulfonyl-phenyl]acetic acid methyl ester Formula: C20H25N3O6S MolecularWeight: 435.494

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)CC(=O)OC)S(=O)(=O)N2CCN(CC2)C3=CC=CC=N3)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)CC(=O)OC)S(=O)(=O)N2CCN(CC2)C3=CC=CC=N3)OC

InChI

InChI=1S/C20H25N3O6S/c1-27-16-12-15(13-20(24)29-3)18(14-17(16)28-2)30(25,26)23-10-8-22(9-11-23)19-6-4-5-7-21-19/h4-7,12,14H,8-11,13H2,1-3H3