ethyl 1-[6-(4-methylphenyl)sulfonylpyridazin-3-yl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[6-(4-methylphenyl)sulfonylpyridazin-3-yl]piperidine-4-carboxylate Openeye Name: ethyl 1-[6-(p-tolylsulfonyl)pyridazin-3-yl]piperidine-4-carboxylate CAS Name: 1-[6-(4-methylphenyl)sulfonyl-3-pyridazinyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[6-(4-methylphenyl)sulfonylpyridazin-3-yl]piperidine-4-carboxylate Traditional Name: 1-(6-tosylpyridazin-3-yl)isonipecotic acid ethyl ester Formula: C19H23N3O4S MolecularWeight: 389.46862

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H23N3O4S/c1-3-26-19(23)15-10-12-22(13-11-15)17-8-9-18(21-20-17)27(24,25)16-6-4-14(2)5-7-16/h4-9,15H,3,10-13H2,1-2H3