ethyl 2-[3-(4-methyl-3-piperidin-1-ylsulfonyl-phenyl)-6-oxidanylidene-pyridazin-1-yl]ethanoate

Systemtic Name: ethyl 2-[3-(4-methyl-3-piperidin-1-ylsulfonyl-phenyl)-6-oxidanylidene-pyridazin-1-yl]ethanoate Openeye Name: ethyl 2-[3-[4-methyl-3-(1-piperidylsulfonyl)phenyl]-6-oxo-pyridazin-1-yl]acetate CAS Name: 2-[3-[4-methyl-3-(1-piperidinylsulfonyl)phenyl]-6-oxo-1-pyridazinyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[3-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-6-oxopyridazin-1-yl]acetate Traditional Name: 2-[6-keto-3-(4-methyl-3-piperidinosulfonyl-phenyl)pyridazin-1-yl]acetic acid ethyl ester Formula: C20H25N3O5S MolecularWeight: 419.4946

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C(=O)C=CC(=N1)C2=CC(=C(C=C2)C)S(=O)(=O)N3CCCCC3

Isomeric SMILES

CCOC(=O)CN1C(=O)C=CC(=N1)C2=CC(=C(C=C2)C)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C20H25N3O5S/c1-3-28-20(25)14-23-19(24)10-9-17(21-23)16-8-7-15(2)18(13-16)29(26,27)22-11-5-4-6-12-22/h7-10,13H,3-6,11-12,14H2,1-2H3