ethyl 1-[2-methyl-5-(6-oxidanylidene-1H-pyridazin-3-yl)phenyl]sulfonylpiperidine-4-carboxylate

Systemtic Name: ethyl 1-[2-methyl-5-(6-oxidanylidene-1H-pyridazin-3-yl)phenyl]sulfonylpiperidine-4-carboxylate Openeye Name: ethyl 1-[2-methyl-5-(6-oxo-1H-pyridazin-3-yl)phenyl]sulfonylpiperidine-4-carboxylate CAS Name: 1-[2-methyl-5-(6-oxo-1H-pyridazin-3-yl)phenyl]sulfonyl-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-methyl-5-(6-oxo-1H-pyridazin-3-yl)phenyl]sulfonylpiperidine-4-carboxylate Traditional Name: 1-[5-(6-keto-1H-pyridazin-3-yl)-2-methyl-phenyl]sulfonylisonipecotic acid ethyl ester Formula: C19H23N3O5S MolecularWeight: 405.46802

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C3=NNC(=O)C=C3)C

Isomeric SMILES

CCOC(=O)C1CCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C3=NNC(=O)C=C3)C

InChI

InChI=1S/C19H23N3O5S/c1-3-27-19(24)14-8-10-22(11-9-14)28(25,26)17-12-15(5-4-13(17)2)16-6-7-18(23)21-20-16/h4-7,12,14H,3,8-11H2,1-2H3,(H,21,23)